SCHEMBL9606008

SCHEMBL9606008

O=C(Nc1cccc(C(F)(F)F)c1)Nc1cccc2c1CCN(Cc1ccnc3ccccc13)C2

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.78
BRAF P15056 1/20 0.50
MAPK14 Q16539 1/20 0.50
TNNI3K Q59H18 1/20 0.50
FLT1 P17948 1/20 0.49
PDGFRB P09619 1/20 0.48
P2RY1 P47900 3/20 0.47
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
IDH1 O75874 1/20 0.46
CARM1 Q86X55 1/20 0.46
FAAH O00519 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
SCHEMBL14122597 0.89 KDR (0.62) KDRP2RY1CARM1FAAH
SCHEMBL9605571 0.88 KDR (1.00) KDRFLT1PDGFRBFAAH
SCHEMBL9605577 0.88 KDR (0.72) KDRFLT1PDGFRBCARM1
SCHEMBL9605540 0.85 KDR (0.59) KDRP2RY1CARM1FAAH
SCHEMBL4443993 0.85 KDR (0.57) KDRP2RY1CARM1FAAH
SCHEMBL9605551 0.84 KDR (0.61) KDRP2RY1CARM1FAAH
SCHEMBL9605537 0.82 KDR (0.61) KDRPDGFRBP2RY1CARM1FAAH
SCHEMBL14325936 0.82 KDR (0.88) KDRFLT1PDGFRBCARM1FAAH
SCHEMBL9605570 0.79 KDR (0.85) KDRCARM1FAAH
SCHEMBL14122897 0.79 KDR (0.63) KDRCARM1FAAH

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 6/4885BRAF 186/4885MAPK14 2207/4885

“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.