SCHEMBL5078673

SCHEMBL5078673

O=C(O)c1ccc2[nH]c(-c3cc4ccccc4[nH]c3=O)cc2c1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.70
CHEK1 O14757 3/20 0.70
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
ITK Q08881 1/20 0.46
PARP1 P09874 1/20 0.46
DAO P14920 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
SRD5A2 P31213 1/20 0.45
HSD17B10 Q99714 1/20 0.45
DDO Q99489 1/20 0.45

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
SCHEMBL6333156 0.92 KDR (0.70) KDRCHEK1CASP3SENP8SENP7
SCHEMBL5082009 0.88 KDR (0.68) KDRCHEK1
SCHEMBL29370693 0.84 KDR (1.00) KDRCHEK1DAOKDM4EMAPT
SCHEMBL5076094 0.84 KDR (1.00) KDRCHEK1DAOKDM4EMAPT
SCHEMBL27488931 0.82 KDR (0.77) KDRCHEK1DAODDO
SCHEMBL29206332 0.80 KDR (0.55) KDRCHEK1CASP3SENP8SENP7
SCHEMBL27489248 0.80 KDR (0.79) KDRCHEK1DAOKDM4EMAPT
SCHEMBL14559496 0.80 KDR (0.62) KDRCHEK1PARP1KDM4EHSD17B10
SCHEMBL5076073 0.80 KDR (1.00) KDRCHEK1PARP1
SCHEMBL5551798 0.80 KDR (0.62) KDRCHEK1PARP1KDM4EHSD17B10

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 12 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
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 955/4885CASP3 979/4885
US-20050096344-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 KDR 5/4885CHEK1 499/4885CASP3 971/4885
US-20080274107-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 KDR 5/4885CHEK1 499/4885CASP3 971/4885

“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.