SCHEMBL5082453

SCHEMBL5082453

Nc1ccc2[nH]c(-c3cc4ccccc4[nH]c3=O)cc2c1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.77
CHEK1 O14757 2/20 0.77
CDK5 Q00535 1/20 0.50
CDK5R1 Q15078 1/20 0.50
PDGFRB P09619 1/20 0.48
FGFR1 P11362 1/20 0.48
PARP1 P09874 1/20 0.45
BRD4 O60885 1/20 0.45
DAO P14920 1/20 0.45
DDO Q99489 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL5076094 0.87 KDR (1.00) KDRCHEK1CDK5CDK5R1PDGFRB
SCHEMBL29370693 0.87 KDR (1.00) KDRCHEK1CDK5CDK5R1PDGFRB
SCHEMBL27489248 0.84 KDR (0.79) KDRCHEK1PDGFRBFGFR1BRD4
SCHEMBL27488931 0.82 KDR (0.77) KDRCHEK1CDK5CDK5R1PDGFRB
SCHEMBL17505156 0.80 NPC1 (0.51) KDRCHEK1CDK5CDK5R1PDGFRB
SCHEMBL5076134 0.80 KDR (0.72) KDRCHEK1PDGFRBFGFR1BRD4
SCHEMBL5078673 0.79 KDR (0.70) KDRCHEK1PARP1DAODDO
SCHEMBL11347026 0.78 CDK5 (0.65) KDRCHEK1CDK5CDK5R1PDGFRB
SCHEMBL5208407 0.78 KDR (0.74) KDRCHEK1PDGFRBFGFR1BRD4
SCHEMBL5389152 0.78 KDR (0.68) KDRCHEK1PDGFRBFGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080274107-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2008-11-06 US disclosed
US-7186723-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-03-06 US disclosed
US-7186723-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-03-06 US disclosed
US-7186723-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-03-06 US disclosed
CN-1213045-C Tyrosine kinase inhibitors MERCK & CO INC (US) 2005-08-03 CN disclosed
US-20050096344-A1 Tyrosine kinase inhibitors FRALEY MARK E (US) 2005-05-05 US disclosed
EP-1226136-B1 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2004-12-29 EP disclosed
US-20040235826-A1 Tyrosine kinase ihnibitors MERCK SHARP & DOHME CORP. 2004-11-25 US disclosed
US-6794393-B1 inhibitors of VEGF; angiogenesis, cancer, tumor growth, atherosclerosis, age related macular degeneration, diabetic retinopathy, inflammatory diseases; 1H-indole compounds having a fused nitrogen heterocycle amide in the 2-position MERCK & CO., INC. 2004-09-21 US disclosed
CN-1409708-A Tyrosine kinase inhibitors MERCK & CO INC (US) 2003-04-09 CN disclosed
WO-2003020699-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-03-13 WO disclosed
EP-1226136-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2002-07-31 EP disclosed
US-6306874-B1 ENZYME INHIBITORS SUCH AS ANGIOGENESIS, CANCER, TUMOR GROWTH, ATHEROSCLEROSIS, AGE RELATED MACULAR DEGENERATION, DIABETIC RETINOPATHY, INFLAMMATORY DISEASES, AND THE LIKE IN MAMMALS. MERCK & CO., INC. 2001-10-23 US disclosed
WO-2001029025-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2001-04-26 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 (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-20040235826-A1 Tyrosine kinase ihnibitors KDR, FLT4, ERBB2 KDR 1/4885CHEK1 955/4885CDK5 306/4885
US-20050096344-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 KDR 5/4885CHEK1 499/4885CDK5 92/4885
US-20080274107-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 KDR 5/4885CHEK1 499/4885CDK5 92/4885

“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.