SCHEMBL9605535

SCHEMBL9605535

COc1cc2nccc(CN3CCc4c(cccc4C(=O)Nc4ccc(Cl)cc4)C3)c2cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 19/20 1.00
AURKA O14965 1/20 0.52
LCK P06239 1/20 0.52
CSF1R P07333 1/20 0.52
MET P08581 1/20 0.52
BRAF P15056 1/20 0.52
FLT1 P17948 1/20 0.52
FGFR2 P21802 1/20 0.52
FLT4 P35916 1/20 0.52
TEK Q02763 1/20 0.52
AURKB Q96GD4 1/20 0.52
ABCB1 P08183 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.49

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
SCHEMBL14122430 0.93 KDR (0.87) KDRABCB1ABCG2
SCHEMBL4985431 0.91 KDR (1.00) KDRABCB1ABCG2
SCHEMBL14134837 0.90 KDR (0.82) KDRABCB1ABCG2
SCHEMBL9605584 0.88 KDR (1.00) KDRCSF1RBRAF
SCHEMBL9605553 0.88 KDR (1.00) KDRABCB1ABCG2
SCHEMBL9606066 0.88 KDR (1.00) KDRMETABCB1ABCG2
SCHEMBL4439008 0.87 KDR (0.80) KDRFLT1ABCB1ABCG2
SCHEMBL9606067 0.86 KDR (1.00) KDR
SCHEMBL4439330 0.86 KDR (0.79) KDRABCB1ABCG2
SCHEMBL4436645 0.85 KDR (0.77) KDRABCB1ABCG2

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 6/4885AURKA 4280/4885LCK 1290/4885

“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.