SCHEMBL2322786

SCHEMBL2322786

Cc1ncc(-c2ccccc2)cc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.54
PIK3C3 Q8NEB9 1/20 0.52
ACMSD Q8TDX5 3/20 0.49
HNF4A P41235 2/20 0.49
ALDH1A1 P00352 1/20 0.49
DHFR P00374 1/20 0.49
MCL1 Q07820 1/20 0.49
CAMKK2 Q96RR4 2/20 0.48
DHODH Q02127 2/20 0.47
PTPN1 P18031 2/20 0.46
MAP4K4 O95819 1/20 0.45
PARP1 P09874 1/20 0.45
AKR1C2 P52895 3/20 0.45
AKR1C1 Q04828 3/20 0.45
AKR1C4 P17516 1/20 0.45
AKR1C3 P42330 1/20 0.45
AXL P30530 1/20 0.44
PTPN2 P17706 1/20 0.44
PTPN6 P29350 1/20 0.44
PRKCI P41743 1/20 0.43

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
Hydrochloric Acid SCHEMBL3528772 0.98 LDHA (0.53) LDHAPIK3C3ACMSDHNF4AALDH1A1
SCHEMBL10203111 0.86 LDHA (0.44) LDHAPIK3C3ACMSDHNF4ADHFR
SCHEMBL4768064 0.86 AXL (0.46) LDHAPIK3C3ALDH1A1CAMKK2MAP4K4
SCHEMBL11064733 0.85 MAP4K4 (0.50) PIK3C3ALDH1A1MAP4K4AKR1C2AKR1C1
SCHEMBL27639373 0.84 MCL1 (0.57) LDHAPIK3C3MCL1MAP4K4AXL
SCHEMBL7093171 0.83 AXL (0.60) ALDH1A1CAMKK2AXLPRKCISGK1
Hydrochloric Acid SCHEMBL7093169 0.82 AXL (0.59) ALDH1A1CAMKK2AXLPRKCISGK1
SCHEMBL28331820 0.82 AKR1C2 (0.54) PIK3C3MCL1DHODHMAP4K4AKR1C2
SCHEMBL4768072 0.82 PSMB5 (0.42) LDHAPIK3C3ALDH1A1CAMKK2PARP1
SCHEMBL27603195 0.81 MCL1 (0.61) LDHAPIK3C3ALDH1A1MCL1CAMKK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230150997-A1 EIF4E INHIBITORS AND USES THEREOF PIC Therapeutics, Inc. 2023-05-18 US disclosed
US-20230150997-A1 EIF4E INHIBITORS AND USES THEREOF PIC Therapeutics, Inc. 2023-05-18 US disclosed
US-8207186-B2 Benzocycloheptapyridines as inhibitors of the receptor tyrosine kinase MET MERCK SHARP & DOHME CORP. (US) 2012-06-26 US disclosed
EP-1896421-B1 BENZOCYCLOHEPTAPYRIDINES AS INHIBITORS OF THE RECEPTOR TYROSINE KINASE MET MERCK SHARP & DOHME (US) 2011-09-14 EP disclosed
EP-1896422-B1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME (US) 2011-08-17 EP disclosed
US-7790739-B2 receptor tyrosine kinase MET inhibitors; anticancer agents; 8-phenyl-10H-furo[2',3':4,5]cyclohepta[1,2-b]pyridin-10-one Merck & Co., Inc. and Merck Sharp & Dohme Corp. (US) 2010-09-07 US disclosed
US-7790739-B2 receptor tyrosine kinase MET inhibitors; anticancer agents; 8-phenyl-10H-furo[2',3':4,5]cyclohepta[1,2-b]pyridin-10-one Merck & Co., Inc. and Merck Sharp & Dohme Corp. (US) 2010-09-07 US disclosed
US-20090247565-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2009-10-01 US disclosed
US-20090247565-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2009-10-01 US disclosed
US-20090197908-A1 Benzocycloheptapyridines as inhibitors of the receptor tyrosine kinase met MERCK SHARP & DOHME LLC 2009-08-06 US disclosed
US-7550478-B2 Tyrosine kinase inhibitors MERCK & CO. INC. (US) 2009-06-23 US disclosed
EP-1896422-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2008-03-12 EP disclosed
EP-1896421-A2 BENZOCYCLOHEPTAPYRIDINES AS INHIBITORS OF THE RECEPTOR TYROSINE KINASE MET Merck & Co., Inc. (US) 2008-03-12 EP disclosed
WO-2007050380-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2007-05-03 WO disclosed
WO-2007002254-A2 BENZOCYCLOHEPTAPYRIDINES AS INHIBITORS OF THE RECEPTOR TYROSINE KINASE MET MERCK & CO., INC. (US) 2007-01-04 WO disclosed
WO-2007002258-A2 BENZOCYCLOHEPTAPYRIDINES AS INHIBITORS OF THE RECEPTOR TYROSINE KINASE MET MERCK & CO., INC. (US) 2007-01-04 WO disclosed
US-20060293358-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME LLC 2006-12-28 US disclosed
WO-2003084931-A1 5H-BENZO[4,5]CYCLOHEPTA[1,2-B]PYRIDINE NMDA/NR2B ANTAGONISTS MERCK & CO., INC. (US) 2003-10-16 WO 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 (4 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-20230150997-A1 EIF4E INHIBITORS AND USES THEREOF EIF4E, EIF4EBP1, EIF4A1 LDHA 3142/4885PIK3C3 478/4885ACMSD 4837/4885
US-20060293358-A1 Tyrosine kinase inhibitors ABL1, ERBB2, RET LDHA 4152/4885PIK3C3 416/4885ACMSD 4824/4885
US-20090247565-A1 Tyrosine Kinase Inhibitors ABL1, ERBB2, MET LDHA 3517/4885PIK3C3 134/4885ACMSD 4872/4885
US-20090197908-A1 Benzocycloheptapyridines as inhibitors of the receptor tyrosine kinase met MET, RET, ERBB2 LDHA 3768/4885PIK3C3 1215/4885ACMSD 4666/4885

“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.