SCHEMBL5076134

SCHEMBL5076134

O=Cc1ccc2[nH]c(-c3cc4ccccc4[nH]c3=O)cc2c1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.72
CHEK1 O14757 2/20 0.72
PDGFRB P09619 1/20 0.46
FGFR1 P11362 1/20 0.46
KIF11 P52732 1/20 0.44
CYP2A6 P11509 2/20 0.44
BRD4 O60885 1/20 0.43
DAO P14920 1/20 0.43
DDO Q99489 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
Thiomorpholine SCHEMBL5077999 0.89 KDR (0.56) KDRCHEK1PDGFRBFGFR1KIF11
SCHEMBL29370693 0.85 KDR (1.00) KDRCHEK1PDGFRBFGFR1BRD4
SCHEMBL5076094 0.85 KDR (1.00) KDRCHEK1PDGFRBFGFR1BRD4
SCHEMBL5384678 0.82 KDR (0.62) KDRCHEK1
SCHEMBL5384675 0.82 KDR (0.62) KDRCHEK1
SCHEMBL27489248 0.81 KDR (0.79) KDRCHEK1PDGFRBFGFR1BRD4
SCHEMBL5389152 0.81 KDR (0.68) KDRCHEK1PDGFRBFGFR1
SCHEMBL27488931 0.80 KDR (0.77) KDRCHEK1PDGFRBFGFR1DAO
SCHEMBL5082453 0.80 KDR (0.77) KDRCHEK1PDGFRBFGFR1BRD4
SCHEMBL5078673 0.77 KDR (0.70) KDRCHEK1DAODDO

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 955/4885PDGFRB 102/4885
US-20050096344-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 KDR 5/4885CHEK1 499/4885PDGFRB 88/4885
US-20080274107-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 KDR 5/4885CHEK1 499/4885PDGFRB 88/4885

“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.