SCHEMBL4297583

SCHEMBL4297583

COc1cc2nccc(CN3CCC(NC(=O)Nc4ccc(Cl)cc4)CC3)c2cc1OC

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.59
PDGFRA P16234 8/20 0.56
KIT P10721 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
MET P08581 1/20 0.48
HDAC1 Q13547 1/20 0.48
EPHX2 P34913 1/20 0.48
EGFR P00533 1/20 0.47
PDGFRB P09619 1/20 0.47

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
SCHEMBL14122880 0.91 KDR (0.57) KDRPDGFRAKITSMN1; SMN2NPSR1
SCHEMBL14122952 0.91 KDR (0.55) KDRPDGFRAKITSMN1; SMN2NPSR1
SCHEMBL14122915 0.86 KDR (0.56) KDRPDGFRAKITKMT2AALDH1A1
SCHEMBL4984150 0.84 KDR (0.60) KDRPDGFRAKIT
SCHEMBL14123086 0.84 KDR (0.56) KDRPDGFRAKITSMN1; SMN2NPSR1
SCHEMBL4302009 0.83 KDR (0.53) KDRPDGFRAKITSMN1; SMN2NPSR1
SCHEMBL5825390 0.81 PDGFRA (0.71) KDRPDGFRAKITMETHDAC1
SCHEMBL14122883 0.81 DRD4 (0.58) KDRMET
SCHEMBL5825260 0.81 PDGFRA (0.68) KDRPDGFRAKITMETHDAC1
SCHEMBL4989253 0.80 KDR (0.56) KDR

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 11 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
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
EP-2118088-B1 Heterocyclic compounds and their use in treating inflammation, angiogenesis and cancer AMGEN INC (US) 2012-05-30 EP disclosed
EP-2118088-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN TREATING INFLAMMATION, ANGIOGENESIS AND CANCER Amgen Inc. (US) 2009-11-18 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
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
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 6/4885PDGFRA 455/4885KIT 311/4885

“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.