SCHEMBL9605898

SCHEMBL9605898

O=C(O)c1cccc2c1CCN(Cc1ccncc1)C2

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.49
ACACB O00763 6/20 0.48
PARP1 P09874 1/20 0.46
KDM4E B2RXH2 4/20 0.45
TSHR P16473 2/20 0.45
P2RY1 P47900 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43
ADORA1 P30542 1/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 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
SCHEMBL4444461 0.88 PTPN1 (0.45) PTPN1ACACBPARP1KDM4ETSHR
SCHEMBL4443192 0.86 P2RY1 (0.50) ACACBKDM4EP2RY1KMT2AMEN1
SCHEMBL14122641 0.85 CARM1 (0.60) ACACBKDM4ETSHRP2RY1KMT2A
SCHEMBL4982048 0.81 KDR (0.61) KDM4ETSHRP2RY1KMT2AMEN1
SCHEMBL27959646 0.80 PNMT (0.58) KDM4EKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL29870452 0.80 PNMT (0.58) KDM4EKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL17607343 0.80 ACACB (0.58) ACACB
SCHEMBL14147238 0.80 KDR (0.53) KDM4ETSHRKMT2AMEN1SMN1; SMN2
SCHEMBL9605558 0.79 KDR (0.53) ACACBKDM4ETSHRKMT2AMEN1
SCHEMBL9605547 0.78 KDR (0.70) KDM4ETSHRP2RY1KMT2AMEN1

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 3 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
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

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 PTPN1 1056/4885ACACB 1289/4885PARP1 1882/4885

“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.