SCHEMBL4443192

SCHEMBL4443192

COC(=O)c1cccc2c1CCN(Cc1ccncc1)C2

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 2/20 0.50
ACACB O00763 11/20 0.49
KDR P35968 4/20 0.46
MEN1 O00255 1/20 0.46
PRMT5 O14744 1/20 0.46
KMT2A Q03164 1/20 0.46
WDR77 Q9BQA1 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
ABCG2 Q9UNQ0 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
SCHEMBL9605898 0.86 PTPN1 (0.49) P2RY1ACACBMEN1KMT2AKDM4E
SCHEMBL4444461 0.84 PTPN1 (0.45) P2RY1ACACBMEN1KMT2AKDM4E
SCHEMBL23774179 0.84 ACACB (0.61) ACACBALDH1A1
SCHEMBL17583853 0.83 ACACB (0.58) ACACB
SCHEMBL23747921 0.83 ACACB (0.58) ACACB
SCHEMBL9605522 0.82 KDR (0.55) P2RY1ACACBKDRMEN1KMT2A
SCHEMBL23774181 0.82 ACACB (0.57) ACACBALDH1A1ABCG2
SCHEMBL6369762 0.82 PRMT5 (0.52) P2RY1ACACBMEN1PRMT5KMT2A
SCHEMBL14122641 0.81 CARM1 (0.60) P2RY1ACACBKDRMEN1KMT2A
SCHEMBL9605554 0.81 KDR (0.55) P2RY1KDRKDM4E

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 P2RY1 1386/4885ACACB 1289/4885KDR 6/4885

“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.