SCHEMBL9606066

SCHEMBL9606066

COc1cc2nccc(CN3CCc4c(cccc4C(=O)Nc4ccc(F)c(C(F)(F)F)c4)C3)c2cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 1.00
ABCB1 P08183 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
MAP3K7 O43318 1/20 0.44
FES P07332 1/20 0.44
FER P16591 1/20 0.44
MAP4K2 Q12851 1/20 0.44
MET P08581 1/20 0.44
MST1R Q04912 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
SCHEMBL9605584 0.92 KDR (1.00) KDR
SCHEMBL9606067 0.89 KDR (1.00) KDR
SCHEMBL9605535 0.88 KDR (1.00) KDRABCB1ABCG2MET
SCHEMBL14122430 0.87 KDR (0.87) KDRABCB1ABCG2
SCHEMBL4985431 0.86 KDR (1.00) KDRABCB1ABCG2
SCHEMBL4306579 0.86 KDR (1.00) KDRMETMST1R
SCHEMBL14134837 0.84 KDR (0.82) KDRABCB1ABCG2
SCHEMBL9605553 0.82 KDR (1.00) KDRABCB1ABCG2
SCHEMBL4439330 0.82 KDR (0.79) KDRABCB1ABCG2
SCHEMBL4436645 0.81 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 6/4885ABCB1 162/4885ABCG2 42/4885

“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.