SCHEMBL6102492

SCHEMBL6102492

CSC1=Nc2ccccc2-c2[nH]c3ccc(Br)cc3c2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 13/20 1.00
GSK3B P49841 13/20 1.00
CCNB2 O95067 11/20 1.00
CCNB1 P14635 11/20 1.00
CCNB3 Q8WWL7 11/20 1.00
CDK5 Q00535 6/20 0.52
CDK5R1 Q15078 6/20 0.52
GSK3A P49840 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
CDC7 O00311 1/20 0.52
PLK4 O00444 1/20 0.52
CHEK1 O14757 1/20 0.52
AURKA O14965 1/20 0.52
NPC1 O15118 1/20 0.52
PDPK1 O15530 1/20 0.52
CCNT1 O60563 1/20 0.52
CCNT2 O60583 1/20 0.52
ROCK2 O75116 1/20 0.52
GMNN O75496 1/20 0.52

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
SCHEMBL6012204 0.86 CDK1 (0.76) CDK1GSK3BCCNB2CCNB1CCNB3
SCHEMBL14499116 0.80 CDK1 (1.00) CDK1GSK3BCCNB2CCNB1CCNB3
SCHEMBL6100749 0.75 CDK1 (0.77) CDK1GSK3BCCNB2CCNB1CCNB3
SCHEMBL15759621 0.74 CDK1 (0.72) CDK1GSK3BCCNB2CCNB1CCNB3
SCHEMBL15270863 0.74 CDK1 (0.60) CDK1GSK3BCCNB2CCNB1CCNB3
SCHEMBL5688237 0.71 GSK3B (1.00) CDK1GSK3BCCNB2CCNB1CCNB3
SCHEMBL12698721 0.69 CA1 (0.80) CDK1GSK3BCCNB2CCNB1CCNB3
SCHEMBL5688609 0.68 CDK1 (1.00) CDK1GSK3BCCNB2CCNB1CCNB3
Kenpaullone SCHEMBL79889 0.68 GSK3B (1.00) CDK1GSK3BCCNB2CCNB1CCNB3
Kenpaullone SCHEMBL29366756 0.68 GSK3B (1.00) CDK1GSK3BCCNB2CCNB1CCNB3

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
EP-1580187-A1 Apoptogenic and antiproliferative analogs of ceramide Deigner, Hans-Peter (DE) 2005-09-28 EP claimed
US-7232814-B2 Use of paullone derivatives for making medicines CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2007-06-19 US disclosed
US-20060009445-A1 Tumor-inhibiting anellated azepinone derivatives FAUSTUS FORSCHUNGS CIE. TRANSLATIONAL CANCER RESEARCH GMBH 2006-01-12 US disclosed
EP-1581534-A2 TUMOUR-INHIBITING ANNELLATED AZEPINONE DERIVATIVES Faustus Forschungs Cie. Translational Cancer Research GmbH (DE) 2005-10-05 EP disclosed
EP-1580187-A1 Apoptogenic and antiproliferative analogs of ceramide Deigner, Hans-Peter (DE) 2005-09-28 EP disclosed
WO-2004058766-A2 TUMOUR-INHIBITING ANNELLATED AZEPINONE DERIVATIVES FAUSTUS FORSCHUNGS CIE. TRANSLATIONAL CANCER RESEARCH GMBH (DE) 2004-07-15 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-20060009445-A1 Tumor-inhibiting anellated azepinone derivatives AZI2, COX15, ERAL1 CDK1 1156/4885GSK3B 2588/4885CCNB2 3815/4885

“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.