SCHEMBL902674

SCHEMBL902674

CC(C)c1ccn2ncnc2c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.37
PIK3CD O00329 1/20 0.36
MAP4K4 O95819 2/20 0.36
MAPK1 P28482 1/20 0.35
MET P08581 1/20 0.34
TNIK Q9UKE5 1/20 0.33
ALDH1A1 P00352 1/20 0.33
DYRK1A Q13627 1/20 0.33
PDPK1 O15530 1/20 0.32
HSD11B1 P28845 1/20 0.32
TLR9 Q9NR96 3/20 0.32
TLR8 Q9NR97 3/20 0.32
TLR7 Q9NYK1 3/20 0.32
NTRK1 P04629 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
MAPK14 Q16539 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26751201 0.86 TGFBR1 (0.36) TGFBR1PIK3CDMAP4K4MAPK1MET
SCHEMBL25335507 0.86 MAPK1 (0.36) TGFBR1PIK3CDMAP4K4MAPK1MET
Hydrochloric Acid SCHEMBL31123021 0.84 TGFBR1 (0.35) TGFBR1PIK3CDMAP4K4MAPK1MET
SCHEMBL23691885 0.83 TGFBR1 (0.34) TGFBR1PIK3CDMAP4K4MAPK1MET
SCHEMBL25529726 0.83 TGFBR1 (0.37) TGFBR1PIK3CDMAP4K4MAPK1MET
SCHEMBL24726642 0.82 MAPK1 (0.41) TGFBR1PIK3CDMAPK1TNIKPDPK1
SCHEMBL24167686 0.82 DYRK1A (0.33) TGFBR1PIK3CDMAP4K4MAPK1MET
SCHEMBL25574192 0.82 TGFBR1 (0.36) TGFBR1PIK3CDMAP4K4MAPK1MET
SCHEMBL25573467 0.81 TGFBR1 (0.38) TGFBR1PIK3CDMAP4K4MAPK1MET
SCHEMBL26777270 0.80 TGFBR1 (0.36) TGFBR1PIK3CDMAP4K4MAPK1MET

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 107 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024151833-A1 SPIRO DERIVATIVES AS M4 ACTIVATORS/MODULATORS AND USES THEREOF CEREVEL THERAPEUTICS, LLC (US) 2024-07-18 WO disclosed
US-12037346-B2 Amino-substituted heteroaryls for treating cancers with EGFR mutations NUVALENT, INC. (US) 2024-07-16 US disclosed
US-20240228491-A1 METHIONINE ADENOSYLTRANSFERASE INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SCINNOHUB PHARMACEUTICAL CO., LTD. (CN) 2024-07-11 US disclosed
US-20240228491-A1 METHIONINE ADENOSYLTRANSFERASE INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SCINNOHUB PHARMACEUTICAL CO., LTD. (CN) 2024-07-11 US disclosed
US-12030878-B2 Substituted indole ether compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-09 US disclosed
US-20240067638-A1 IMIDAZO[1,2-A]PYRIDINE AND [1,2,4]TRIAZOLO[1,5-A]PYRIDINE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS BRISTOL MYERS SQUIBB CO (US) 2024-02-29 US disclosed
US-20240067638-A1 IMIDAZO[1,2-A]PYRIDINE AND [1,2,4]TRIAZOLO[1,5-A]PYRIDINE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS BRISTOL MYERS SQUIBB CO (US) 2024-02-29 US disclosed
US-11912703-B2 6-azaindole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-02-27 US disclosed
US-11912703-B2 6-azaindole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-02-27 US disclosed
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 US disclosed
US-20170273965-A1 TETRAHYDROISOQUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 MERCK SHARP & DOHME CORP. (US) 2017-09-28 US disclosed
US-20170273965-A1 TETRAHYDROISOQUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 MERCK SHARP & DOHME CORP. (US) 2017-09-28 US disclosed
US-20170252317-A1 N4-PHENYL-QUINAZOLINE-4-AMINE DERIVATIVES AND RELATED COMPOUNDS AS ERBB TYPE I RECEPTOR TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES ARRAY BIOPHARMA, INC. 2017-09-07 US disclosed
US-9693989-B2 N4-phenyl-quinazoline-4-amine derivatives and related compounds as ErbB type I receptor tyrosine kinase inhibitors for the treatment of hyperproliferative diseases ARRAY BIOPHARMA, INC. (US) 2017-07-04 US disclosed
US-9693989-B2 N4-phenyl-quinazoline-4-amine derivatives and related compounds as ErbB type I receptor tyrosine kinase inhibitors for the treatment of hyperproliferative diseases ARRAY BIOPHARMA, INC. (US) 2017-07-04 US disclosed
US-20160304516-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 Quanticel Pharmaceuticals, Inc. 2016-10-20 US disclosed
US-8648087-B2 N4-phenyl-quinazoline-4-amine derivatives and related compounds as ErbB type I receptor tyrosine kinase inhibitors for the treatment of hyperproliferative diseases ARRAY BIOPHARMA, INC. (US) 2014-02-11 US disclosed
US-20140023643-A1 N4-PHENYL-QUINAZOLINE-4-AMINE DERIVATIVES AND RELATED COMPOUNDS AS ERBB TYPE I RECEPTOR TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES ARRAY BIOPHARMA, INC. (US) 2014-01-23 US disclosed
WO-2012044567-A2 IMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2012-04-05 WO disclosed
US-20110034689-A1 N4-Phenyl-Quinazoline-4-Amine Derivatives and Related Compounds as ErbB Type I Receptor Tyrosine Kinase Inhibitors for the Treatment of Hyperproliferative Diseases ARRAY BIOPHARMA, INC. 2011-02-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12037346-B2 Amino-substituted heteroaryls for treating cancers with EGFR mutations EGFR, ERBB2, ERBB3 TGFBR1 1965/4885PIK3CD 269/4885MAP4K4 1774/4885
US-20140023643-A1 N4-PHENYL-QUINAZOLINE-4-AMINE DERIVATIVES AND RELATED COMPOUNDS AS ERBB TYPE I RECEPTOR TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES ERBB4, ERBB2, ERBB3 TGFBR1 900/4885PIK3CD 426/4885MAP4K4 142/4885
US-20170273965-A1 TETRAHYDROISOQUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 DGAT2, DGAT1, MOGAT2 TGFBR1 4512/4885PIK3CD 2171/4885MAP4K4 2263/4885
US-20110034689-A1 N4-Phenyl-Quinazoline-4-Amine Derivatives and Related Compounds as ErbB Type I Receptor Tyrosine Kinase Inhibitors for the Treatment of Hyperproliferative Diseases ERBB4, ERBB2, ERBB3 TGFBR1 900/4885PIK3CD 426/4885MAP4K4 142/4885
US-11912703-B2 6-azaindole compounds TLR7, TLR9, TLR5 TGFBR1 631/4885PIK3CD 1390/4885MAP4K4 2454/4885
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 TGFBR1 4022/4885PIK3CD 2012/4885MAP4K4 145/4885
US-20170252317-A1 N4-PHENYL-QUINAZOLINE-4-AMINE DERIVATIVES AND RELATED COMPOUNDS AS ERBB TYPE I RECEPTOR TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES ERBB4, ERBB2, ERBB3 TGFBR1 900/4885PIK3CD 426/4885MAP4K4 142/4885
US-20240228491-A1 METHIONINE ADENOSYLTRANSFERASE INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF MAT1A, AMD1, MAT2B TGFBR1 1950/4885PIK3CD 3931/4885MAP4K4 4436/4885
US-20240067638-A1 IMIDAZO[1,2-A]PYRIDINE AND [1,2,4]TRIAZOLO[1,5-A]PYRIDINE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS TLR9, TLR1, TLR7 TGFBR1 42/4885PIK3CD 797/4885MAP4K4 767/4885
US-20160304516-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 KDM1B, KDM1A, KDM3A TGFBR1 1855/4885PIK3CD 2148/4885MAP4K4 2764/4885
US-12030878-B2 Substituted indole ether compounds TLR7, TLR8, TLR1 TGFBR1 908/4885PIK3CD 2117/4885MAP4K4 1686/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.