SCHEMBL9605577

SCHEMBL9605577

O=C(Nc1cccc2c1CCN(Cc1ccnc3ccccc13)C2)c1cccc(C(F)(F)F)c1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.72
PDGFRB P09619 1/20 0.50
DGAT2 Q96PD7 1/20 0.46
CRHR1 P34998 1/20 0.45
CARM1 Q86X55 1/20 0.45
FLT1 P17948 1/20 0.44
GAA P10253 1/20 0.43
PTGS1 P23219 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
SCHEMBL9606007 0.89 KDR (0.59) KDRCARM1
SCHEMBL14122897 0.89 KDR (0.63) KDRCARM1
SCHEMBL9606008 0.88 KDR (0.78) KDRPDGFRBCARM1FLT1
SCHEMBL4444255 0.86 KDR (0.75) KDRCARM1
SCHEMBL9606010 0.85 KDR (0.60) KDRCARM1
SCHEMBL9606035 0.85 KDR (0.57) KDRCARM1
SCHEMBL9605571 0.84 KDR (1.00) KDRPDGFRBDGAT2FLT1
SCHEMBL14134836 0.82 KDR (0.60) KDRCARM1
SCHEMBL4443993 0.80 KDR (0.57) KDRCARM1
SCHEMBL9605570 0.80 KDR (0.85) KDRDGAT2CARM1

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 6/4885PDGFRB 289/4885DGAT2 3976/4885

“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.