SCHEMBL6907136

SCHEMBL6907136

Nc1ncc(C(=O)NC2CC2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 1/20 0.49
MAPK14 Q16539 1/20 0.49
RAB9A P51151 7/20 0.44
NPC1 O15118 5/20 0.44
SMYD3 Q9H7B4 5/20 0.44
HPGD P15428 4/20 0.43
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 2/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.40
CHRM4 P08173 1/20 0.40
S100A4 P26447 1/20 0.40
PRNP P04156 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL3542398 0.87 DCLK1 (0.46) MAPK11MAPK14SMYD3ALDH1A1KMT2A
SCHEMBL1403718 0.81 HPGD (0.51) MAPK11MAPK14RAB9ANPC1SMYD3
SCHEMBL12615187 0.80 F10 (0.47) MAPK11MAPK14RAB9ANPC1SMYD3
SCHEMBL7264799 0.80 RAB9A (0.45) MAPK11MAPK14RAB9ANPC1SMYD3
SCHEMBL13066164 0.80 TSHR (0.40) MAPK11MAPK14RAB9ANPC1HPGD
SCHEMBL4219879 0.80 HDAC1 (0.50) HPGDALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL13066163 0.79 HDAC3 (0.36) MAPK11MAPK14RAB9ANPC1HPGD
SCHEMBL14288411 0.78 MAPK11 (0.67) MAPK11MAPK14
SCHEMBL1984985 0.78 HDAC3 (0.56)
SCHEMBL31507872 0.76 HPGD (0.48) MAPK11MAPK14RAB9ANPC1HPGD

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118344357-A Thiazole-containing 2, 4-diaminopyrimidine compound and application thereof 南方医科大学 2024-07-16 CN disclosed
US-20190194179-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2019-06-27 US disclosed
WO-2018037223-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2018-03-01 WO disclosed
US-20120238576-A1 Triazine Derivatives and their Therapeutical Applications CALIFORNIA CAPITAL EQUITY, LLC (CA) 2012-09-20 US disclosed
US-20120238576-A1 Triazine Derivatives and their Therapeutical Applications CALIFORNIA CAPITAL EQUITY, LLC (CA) 2012-09-20 US disclosed
WO-2010144338-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS ABRAXIS BIOSCIENCE, LLC (US) 2010-12-16 WO disclosed
US-7265134-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-09-04 US disclosed
US-7265134-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-09-04 US disclosed
US-20040192926-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2004-09-30 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 (3 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-20190194179-A1 ANTIBIOTIC COMPOUNDS B3GNT2, RPN2, RPN1 MAPK11 2223/4885MAPK14 2505/4885RAB9A 1688/4885
US-20040192926-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 MAPK11 337/4885MAPK14 161/4885RAB9A 2382/4885
US-20120238576-A1 Triazine Derivatives and their Therapeutical Applications SLC10A1, GLS, SLC10A2 MAPK11 2174/4885MAPK14 2474/4885RAB9A 3275/4885

“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.