SCHEMBL4779547

SCHEMBL4779547

O=c1[nH]c2ccccc2cc1-c1cc2ccncc2[nH]1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.74
CHEK1 O14757 2/20 0.74
DAO P14920 1/20 0.54
CYP19A1 P11511 1/20 0.52
CDK5 Q00535 3/20 0.51
CDK5R1 Q15078 3/20 0.51
KDM4E B2RXH2 1/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
PDGFRB P09619 1/20 0.50
FGFR1 P11362 1/20 0.50
SLC22A12 Q96S37 1/20 0.49
AURKA O14965 1/20 0.45
PARP1 P09874 1/20 0.44
BRD4 O60885 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
SCHEMBL5207806 0.91 KDR (0.74) KDRCHEK1DAOCYP19A1CDK5
SCHEMBL29370693 0.86 KDR (1.00) KDRCHEK1DAOCDK5CDK5R1
SCHEMBL5076094 0.86 KDR (1.00) KDRCHEK1DAOCDK5CDK5R1
SCHEMBL7084245 0.78 FGFR1 (0.74) KDRDAOKDM4EHPGDHSD17B10
SCHEMBL5078033 0.78 KDR (0.65) KDRCHEK1KDM4EHPGDPDGFRB
SCHEMBL3963947 0.77 CDK5 (0.68) KDRCHEK1DAOCDK5CDK5R1
SCHEMBL5207592 0.77 KDR (0.69) KDRCHEK1DAOCYP19A1CDK5
SCHEMBL17100080 0.77 KDR (0.64) KDRCHEK1DAOCDK5CDK5R1
SCHEMBL27489248 0.77 KDR (0.79) KDRCHEK1DAOKDM4EHPGD
SCHEMBL30305373 0.76 KDR (0.78) KDRCHEK1DAOCDK5CDK5R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1259235-B1 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2007-08-01 EP claimed
US-6420382-B2 QUINOLIN-2-ONE DERIVATIVES TO TREAT ANGIOGENESIS, CANCER, TUMOR GROWTH, ATHEROSCLEROSIS, AGE RELATED MACULAR DEGENERATION, DIABETIC RETINOPATHY AND INFLAMMATORY DISEASES MERCK & CO., INC. 2002-07-16 US claimed
US-20020041880-A1 Method of treating cancer DEFEO-JONES DEBORAH (US) 2002-04-11 US claimed
US-20010044451-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2001-11-22 US claimed
WO-2008022467-A1 2-SUBSTITUTED AZAIN DOLES AND 2 SUBSTITUTED THIENOPYRROLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF LAUTENS MARK (CA) 2008-02-28 WO disclosed
WO-2008022467-A1 2-SUBSTITUTED AZAIN DOLES AND 2 SUBSTITUTED THIENOPYRROLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF LAUTENS MARK (CA) 2008-02-28 WO disclosed
EP-1259235-B1 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2007-08-01 EP disclosed
EP-1259235-B1 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2007-08-01 EP disclosed
EP-1259236-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2004-11-03 EP disclosed
EP-1259236-A1 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2002-11-27 EP disclosed
US-6420382-B2 QUINOLIN-2-ONE DERIVATIVES TO TREAT ANGIOGENESIS, CANCER, TUMOR GROWTH, ATHEROSCLEROSIS, AGE RELATED MACULAR DEGENERATION, DIABETIC RETINOPATHY AND INFLAMMATORY DISEASES MERCK & CO., INC. 2002-07-16 US disclosed
US-20020041880-A1 Method of treating cancer DEFEO-JONES DEBORAH (US) 2002-04-11 US disclosed
US-20010047007-A1 Tyrosine kinase inhibitors MERCK & CO., INC. 2001-11-29 US disclosed
US-20010044451-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2001-11-22 US disclosed
US-6313138-B1 FOR THERAPY OF ANGIOGENESIS, CANCER, TUMOR GROWTH, ATHEROSCLEROSIS, AGE RELATED MACULAR DEGENERATION, DIABETIC RETINOPATHY, INFLAMMATORY DISEASES IN MAMMALS MERCK & CO., INC. 2001-11-06 US disclosed
WO-2001062252-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2001-08-30 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-20010044451-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 KDR 5/4885CHEK1 499/4885DAO 1113/4885
US-20010047007-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 KDR 5/4885CHEK1 499/4885DAO 1113/4885
US-20020041880-A1 Method of treating cancer ACP3, FOLH1, KLK3 KDR 318/4885CHEK1 3711/4885DAO 2450/4885

“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.