SCHEMBL9605545

SCHEMBL9605545

CC(C)(C)c1ccc(NC(=O)c2cccc3c2CCN(Cc2ccnc4ccccc24)C3)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 1.00
FLT1 P17948 1/20 0.49
CARM1 Q86X55 1/20 0.48
ABCB1 P08183 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
FAAH O00519 1/20 0.46
NR4A1 P22736 1/20 0.45
ESR2 Q92731 1/20 0.45
HSD11B1 P28845 1/20 0.44
TRPV1 Q8NER1 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
SCHEMBL14325937 0.93 KDR (0.88) KDRCARM1ABCB1ABCG2FAAH
SCHEMBL9605570 0.92 KDR (0.85) KDRCARM1ABCB1ABCG2FAAH
SCHEMBL14122438 0.90 KDR (0.82) KDRCARM1ABCB1ABCG2FAAH
SCHEMBL4439008 0.89 KDR (0.80) KDRFLT1CARM1ABCB1ABCG2
SCHEMBL4985431 0.88 KDR (1.00) KDRABCB1ABCG2
SCHEMBL14134986 0.87 KDR (0.78) KDRCARM1ABCB1ABCG2FAAH
SCHEMBL14325936 0.87 KDR (0.88) KDRFLT1CARM1FAAH
SCHEMBL9605544 0.86 KDR (0.76) KDRCARM1ABCB1ABCG2FAAH
SCHEMBL9605955 0.85 KDR (0.78) KDRCARM1ABCB1ABCG2FAAH
SCHEMBL4444255 0.85 KDR (0.75) KDRCARM1FAAHHSD11B1TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338455-B2 Pyridines or pyrimidines having 4-(hydrogenated 1-pyridyl- or hydrogenated 1-isoquinolyl rings, e.g., N-(4-chlorophenyl)-2-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide; kinase inhibitors; inflammation, angiogenesis and cancer AMGEN INC. (US) 2012-12-25 US disclosed
US-8338455-B2 Pyridines or pyrimidines having 4-(hydrogenated 1-pyridyl- or hydrogenated 1-isoquinolyl rings, e.g., N-(4-chlorophenyl)-2-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide; kinase inhibitors; inflammation, angiogenesis and cancer AMGEN INC. (US) 2012-12-25 US disclosed
EP-2118088-B1 Heterocyclic compounds and their use in treating inflammation, angiogenesis and cancer AMGEN INC (US) 2012-05-30 EP disclosed
US-20080161346-A1 Compounds and methods of use AMGEN INC. (US) 2008-07-03 US disclosed
US-20080161346-A1 Compounds and methods of use AMGEN INC. (US) 2008-07-03 US disclosed
WO-2008079292-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN TREATING INFLAMMATION, ANGIOGENESIS AND CANCER AMGEN INC. (US) 2008-07-03 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-20080161346-A1 Compounds and methods of use VHL, VEGFA, FLT1 KDR 6/4885FLT1 3/4885CARM1 3322/4885

“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.