SCHEMBL3723672

SCHEMBL3723672

[c]1cncc(C2=CCCCC2)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 2/20 0.37
TDP1 Q9NUW8 1/20 0.35
KDR P35968 1/20 0.33
PPARA Q07869 1/20 0.33
ACMSD Q8TDX5 1/20 0.33
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
PDGFRB P09619 1/20 0.31
PDGFRA P16234 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30

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
SCHEMBL3722880 0.95 PPARA (0.37) PSMB5KDRPPARAACMSDPDGFRB
SCHEMBL29066296 0.72 DYRK1A (0.39) CDK2
SCHEMBL4163153 0.72 SIGMAR1 (0.49)
SCHEMBL6291238 0.71
SCHEMBL2171290 0.69 PPARA (0.57) TDP1PPARAALDH1A1CYP3A4
SCHEMBL10793933 0.69 ACMSD (0.53) PSMB5TDP1ACMSDCASP3SENP8
SCHEMBL2173463 0.69 KDR (0.51) PSMB5TDP1KDRPPARAACMSD
SCHEMBL648207 0.69 ACMSD (0.46) PSMB5TDP1KDRACMSDCASP3
SCHEMBL676952 0.68 ACMSD (0.36) PSMB5TDP1PPARAACMSD
SCHEMBL23960571 0.68 PSMB5 (0.43) PSMB5TDP1KDRPPARAACMSD

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116724034-A 2, 3-dihydro-4H-benzo [ B ] [1,4] oxazin-4-yl (5- (phenyl) -pyridin-3-yl) methanone derivatives and similar compounds as CYP11A1 inhibitors for the treatment of prostate cancer 奥赖恩公司 2023-09-08 CN claimed
US-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 US claimed
EP-2242756-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES Novartis AG (CH) 2010-10-27 EP claimed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 US claimed
WO-2009087225-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES NOVARTIS AG (CH) 2009-07-16 WO claimed
CN-116724034-A 2, 3-dihydro-4H-benzo [ B ] [1,4] oxazin-4-yl (5- (phenyl) -pyridin-3-yl) methanone derivatives and similar compounds as CYP11A1 inhibitors for the treatment of prostate cancer 奥赖恩公司 2023-09-08 CN disclosed
US-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 US disclosed
EP-2242756-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES Novartis AG (CH) 2010-10-27 EP disclosed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 US disclosed
WO-2009087225-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES NOVARTIS AG (CH) 2009-07-16 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-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines ALK, ACVR1, PTPN4 PSMB5 3527/4885TDP1 244/4885KDR 124/4885

“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.