SCHEMBL7618521

SCHEMBL7618521

Clc1ccc(-c2cnc3c(-c4ccccc4)cnn3c2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.77
ACVR1 Q04771 2/20 0.62
PRKAB1 Q9Y478 2/20 0.62
TGFBR1 P36897 1/20 0.62
FLT1 P17948 3/20 0.61
FLT4 P35916 3/20 0.61
GAK O14976 1/20 0.61
KMT2A Q03164 1/20 0.60
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
RXFP1 Q9HBX9 1/20 0.57
BMP4 P12644 2/20 0.56
PRKAB2 O43741 1/20 0.54
PRKAG1 P54619 1/20 0.54
PRKAA2 P54646 1/20 0.54
PRKAA1 Q13131 1/20 0.54
PRKAG3 Q9UGI9 1/20 0.54
PRKAG2 Q9UGJ0 1/20 0.54
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL14424408 0.91 KDR (0.85) KDRACVR1PRKAB1TGFBR1FLT1
SCHEMBL7616707 0.87 KDR (1.00) KDRACVR1PRKAB1TGFBR1FLT1
SCHEMBL7618559 0.85 KDR (0.77) KDRACVR1PRKAB1TGFBR1FLT1
SCHEMBL5405900 0.85 KDR (0.72) KDRACVR1PRKAB1TGFBR1FLT1
SCHEMBL7610636 0.84 KDR (1.00) KDRACVR1PRKAB1TGFBR1FLT1
SCHEMBL14437843 0.83 KDR (0.68) KDRACVR1PRKAB1TGFBR1FLT1
SCHEMBL5416682 0.82 KDR (0.67) KDRACVR1PRKAB1TGFBR1FLT1
SCHEMBL5410390 0.82 KDR (0.67) KDRACVR1PRKAB1TGFBR1FLT1
SCHEMBL7610618 0.82 KDR (1.00) KDRACVR1PRKAB1TGFBR1FLT1
SCHEMBL24409781 0.80 KDR (0.65) KDRACVR1PRKAB1TGFBR1FLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6380203-B1 PYRAZOLO(1,5-A)PYRIMIDINE DERIVATIVES; TREATMENT OF TYROSINE KINASE-DEPENDENT DISEASES/CONDITIONS SUCH AS ANGIOGENESIS, CANCER, ATHEROSCLEROSIS, DIABETIC RETINOPATHY OR AUTOIMMUNE DISEASES MERCK & CO., INC. 2002-04-30 US claimed
US-20020041880-A1 Method of treating cancer DEFEO-JONES DEBORAH (US) 2002-04-11 US claimed
EP-0984692-A4 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO INC (US) 2001-02-21 EP claimed
EP-0984692-A1 NOVEL ANGIOGENESIS INHIBITORS Merck & Co., Inc. (US) 2000-03-15 EP claimed
WO-1998054093-A1 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO., INC. (US) 1998-12-03 WO claimed
US-6380203-B1 PYRAZOLO(1,5-A)PYRIMIDINE DERIVATIVES; TREATMENT OF TYROSINE KINASE-DEPENDENT DISEASES/CONDITIONS SUCH AS ANGIOGENESIS, CANCER, ATHEROSCLEROSIS, DIABETIC RETINOPATHY OR AUTOIMMUNE DISEASES MERCK & CO., INC. 2002-04-30 US disclosed
US-20020041880-A1 Method of treating cancer DEFEO-JONES DEBORAH (US) 2002-04-11 US disclosed
US-6235741-B1 ANTICANCER AGENTS; AUTOIMMUNE DISEASES MERCK & CO., INC. 2001-05-22 US disclosed
EP-0984692-A4 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO INC (US) 2001-02-21 EP disclosed
EP-0984692-A1 NOVEL ANGIOGENESIS INHIBITORS Merck & Co., Inc. (US) 2000-03-15 EP disclosed
WO-1998054093-A1 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO., INC. (US) 1998-12-03 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 (1 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-20020041880-A1 Method of treating cancer ACP3, FOLH1, KLK3 KDR 318/4885ACVR1 1430/4885PRKAB1 4008/4885

“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.