SCHEMBL13220587

SCHEMBL13220587

Nc1nccc2c(-c3ccnc(S)n3)c3cccnc3n12

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 4/20 0.77
CDK2 P24941 4/20 0.46
CCNT1 O60563 2/20 0.46
CCNA2 P20248 2/20 0.46
CCNA1 P78396 2/20 0.46
CDK5 Q00535 2/20 0.46
CDK5R1 Q15078 2/20 0.46
EPAS1 Q99814 1/20 0.37
ACHE P22303 1/20 0.34
DYRK1A Q13627 2/20 0.32
CDC7 O00311 1/20 0.32
PDPK1 O15530 1/20 0.31

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
SCHEMBL13220588 0.87 CDK9 (0.57) CDK9CDK2CCNT1CCNA2CCNA1
SCHEMBL4033318 0.87 CDK9 (1.00) CDK9CDK2CCNT1CCNA2CCNA1
SCHEMBL13202856 0.85 CDK9 (0.77) CDK9CDK2CCNT1CCNA2CCNA1
SCHEMBL13202858 0.85 CDK9 (0.81) CDK9CDK2CCNT1CCNA2CCNA1
SCHEMBL13220777 0.82 CDK9 (0.53) CDK9CDK2CCNT1CCNA2CCNA1
SCHEMBL13202860 0.82 CDK9 (0.72) CDK9CDK2CCNT1CCNA2CCNA1
SCHEMBL13202950 0.81 CDK9 (0.72) CDK9CDK2CCNT1CCNA2CCNA1
SCHEMBL117207 0.81 CDK9 (0.72) CDK9CDK2CCNT1CCNA2CCNA1
SCHEMBL14311712 0.81 CDK9 (0.70) CDK9CDK2CCNT1CCNA2CCNA1
SCHEMBL13220662 0.81 CDK9 (0.55) CDK9CDK2CCNT1CCNA2CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7495000-B2 Variolin derivatives and their use as antitumor agents PHARMA MAR, S.A. (ES) 2009-02-24 US disclosed
US-7320981-B2 Antitumor agents PHARMA MAR, S.A. (ES) 2008-01-22 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-20090197901-A1 VARIOLIN DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS CBR3, CCNL2, HRH3 CDK9 1364/4885CDK2 48/4885CCNT1 142/4885

“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.