SCHEMBL5081995

SCHEMBL5081995

COCCN(C)CCOc1ccc2[nH]c(-c3cc4ccccc4[nH]c3=O)cc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 1.00
CHEK1 O14757 2/20 0.54
PDGFRB P09619 4/20 0.53
PDGFRA P16234 4/20 0.53
TNKS O95271 1/20 0.43
FLT3 P36888 1/20 0.43
AURKA O14965 1/20 0.43
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL29460356 1.00 KDR (1.00) KDRCHEK1PDGFRBPDGFRATNKS
SCHEMBL6166968 0.94 KDR (0.89) KDRCHEK1PDGFRBPDGFRATNKS
SCHEMBL5076110 0.93 KDR (0.86) KDRCHEK1PDGFRBPDGFRATNKS
SCHEMBL5081964 0.90 KDR (0.81) KDRCHEK1PDGFRBPDGFRA
SCHEMBL5081988 0.87 KDR (0.77) KDRCHEK1PDGFRBPDGFRAFLT3
SCHEMBL5141013 0.87 KDR (0.77) KDRCHEK1PDGFRBPDGFRAAURKA
SCHEMBL5078793 0.86 KDR (0.75) KDRCHEK1PDGFRBPDGFRAFLT3
SCHEMBL5079376 0.85 KDR (0.74) KDRCHEK1PDGFRBPDGFRA
SCHEMBL5082515 0.84 KDR (0.73) KDRCHEK1PDGFRBPDGFRAAURKA
SCHEMBL5078715 0.84 KDR (0.72) KDRCHEK1PDGFRBPDGFRAAURKA

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1328519-B1 ORALLY ACTIVE SALTS WITH TYROSINE KINASE ACTIVITY MERCK & CO INC (US) 2005-09-07 EP claimed
EP-1328519-A4 ORALLY ACTIVE SALTS WITH TYROSINE KINASE ACTIVITY MERCK & CO INC (US) 2004-12-15 EP claimed
US-20040002501-A1 Orally active salts with tyrosine kinase activity FRALEY MARK E (US) 2004-01-01 US claimed
EP-1328519-A2 ORALLY ACTIVE SALTS WITH TYROSINE KINASE ACTIVITY Merck & Co., Inc. (US) 2003-07-23 EP claimed
US-20020072526-A1 Orally active salts with tyrosine kinase activity MERCK & CO., INC. 2002-06-13 US claimed
WO-2002032861-A2 ORALLY ACTIVE SALTS WITH TYROSINE KINASE ACTIVITY MERCK & CO., INC. (US) 2002-04-25 WO claimed
US-20020041880-A1 Method of treating cancer DEFEO-JONES DEBORAH (US) 2002-04-11 US claimed
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-6960590-B2 Orally active salts with tyrosine kinase activity MERCK & CO. INC. (US) 2005-11-01 US disclosed
EP-1328519-B1 ORALLY ACTIVE SALTS WITH TYROSINE KINASE ACTIVITY MERCK & CO INC (US) 2005-09-07 EP disclosed
US-20050096344-A1 Tyrosine kinase inhibitors FRALEY MARK E (US) 2005-05-05 US disclosed
EP-1509254-A1 NEW AGENTS FOR MAGNETIC IMAGING METHOD Bracco Imaging S.p.A. (IT) 2005-03-02 EP disclosed
WO-2003103722-A1 NEW AGENTS FOR MAGNETIC IMAGING METHOD BRACCO IMAGING S.P.A. (IT) 2003-12-18 WO disclosed
US-6656942-B2 For therapy of diseases such as angio-genesis, cancer, tumor growth, atherosclerosis, age related macular degeneration, diabetic retinopathy, inflammatory diseases, and the like in mammals MERCK & CO., INC. 2003-12-02 US disclosed
EP-1328519-A2 ORALLY ACTIVE SALTS WITH TYROSINE KINASE ACTIVITY Merck & Co., Inc. (US) 2003-07-23 EP disclosed
US-20020072526-A1 Orally active salts with tyrosine kinase activity MERCK & CO., INC. 2002-06-13 US disclosed
WO-2002032861-A2 ORALLY ACTIVE SALTS WITH TYROSINE KINASE ACTIVITY MERCK & CO., INC. (US) 2002-04-25 WO disclosed
US-20020041880-A1 Method of treating cancer DEFEO-JONES DEBORAH (US) 2002-04-11 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20040002501-A1 Orally active salts with tyrosine kinase activity TEK, FLT1, TIE1 KDR 5/4885CHEK1 989/4885PDGFRB 86/4885
US-20020072526-A1 Orally active salts with tyrosine kinase activity TEK, FLT1, TIE1 KDR 5/4885CHEK1 989/4885PDGFRB 86/4885
US-20050096344-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 KDR 5/4885CHEK1 499/4885PDGFRB 88/4885
US-20020041880-A1 Method of treating cancer ACP3, FOLH1, KLK3 KDR 318/4885CHEK1 3711/4885PDGFRB 421/4885
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.