SCHEMBL13175508

SCHEMBL13175508

Nc1nccc(-c2c3c(Cl)ccnc3n3c(N)nccc23)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 4/20 0.68
CDK5 Q00535 4/20 0.68
CDK5R1 Q15078 4/20 0.68
CDK2 P24941 3/20 0.68
CCNT1 O60563 2/20 0.68
CCNA2 P20248 2/20 0.68
CCNA1 P78396 2/20 0.68
EPAS1 Q99814 1/20 0.54
KMO O15229 1/20 0.40
MAP3K14 Q99558 2/20 0.36
HSP90AA1 P07900 2/20 0.36
AURKA O14965 1/20 0.36
PRKACA P17612 1/20 0.36
ADORA2A P29274 1/20 0.36
DYRK1A Q13627 2/20 0.34
PIK3CD O00329 1/20 0.34
PIK3R1 P27986 1/20 0.34
BRAF P15056 1/20 0.34
KDM4E B2RXH2 3/20 0.33
NPC1 O15118 2/20 0.33

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
SCHEMBL13952907 0.87 CDK2 (0.72) CDK9CDK5CDK5R1CDK2CCNT1
SCHEMBL13175163 0.86 CDK9 (0.71) CDK9CDK5CDK5R1CDK2CCNT1
SCHEMBL13175363 0.84 CDK9 (0.68) CDK9CDK5CDK5R1CDK2CCNT1
Variolin B SCHEMBL13175404 0.84 CDK2 (0.68) CDK9CDK5CDK5R1CDK2CCNT1
Variolin B SCHEMBL29353680 0.84 CDK2 (0.68) CDK9CDK5CDK5R1CDK2CCNT1
SCHEMBL13202875 0.84 CDK9 (0.61) CDK9CDK5CDK5R1CDK2CCNT1
SCHEMBL13175411 0.84 CDK9 (0.53) CDK9CDK5CDK5R1CDK2CCNT1
SCHEMBL13202992 0.82 CDK9 (0.51) CDK9CDK5CDK5R1CDK2CCNT1
SCHEMBL13202991 0.82 CDK9 (0.51) CDK9CDK5CDK5R1CDK2CCNT1
SCHEMBL13202876 0.81 CDK9 (1.00) CDK9CDK5CDK5R1CDK2CCNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1867645-B1 Variolin derivatives and their use as antitumor agents PHARMA MAR SA (ES) 2010-09-08 EP disclosed
US-7772241-B2 Variolin derivatives and their use as antitumor agents PHARMA MAR S.A. (ES) 2010-08-10 US disclosed
US-7772241-B2 Variolin derivatives and their use as antitumor agents PHARMA MAR S.A. (ES) 2010-08-10 US disclosed
US-20090197901-A1 VARIOLIN DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS PHARMA MAR, S.A. (ES) 2009-08-06 US disclosed
US-20090197901-A1 VARIOLIN DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS PHARMA MAR, S.A. (ES) 2009-08-06 US disclosed
US-7495000-B2 Variolin derivatives and their use as antitumor agents PHARMA MAR, S.A. (ES) 2009-02-24 US disclosed
US-7495000-B2 Variolin derivatives and their use as antitumor agents PHARMA MAR, S.A. (ES) 2009-02-24 US disclosed
EP-1404668-B1 VARIOLIN DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS PHARMA MAR SA (ES) 2008-05-28 EP 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-20090197901-A1 VARIOLIN DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS CBR3, CCNL2, HRH3 CDK9 1364/4885CDK5 580/4885CDK5R1 357/4885

“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.