SCHEMBL4029230

SCHEMBL4029230

CSc1nccc(-c2c3cccnc3n3c(NC(C)=O)nccc23)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 1/20 0.46
PIK3CA P42336 2/20 0.40
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
AKT1 P31749 1/20 0.34
TGFBR1 P36897 4/20 0.33
TGFBR2 P37173 2/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
CCNB2 O95067 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
CCNB3 Q8WWL7 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PFKFB3 Q16875 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPK14 Q16539 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
SCHEMBL13847790 0.86 CDK9 (0.51) CDK9MEN1KMT2AAKT1CCNB2
SCHEMBL13220600 0.85 CDK9 (0.47) CDK9MEN1KMT2AAKT1TGFBR1
SCHEMBL13848075 0.84 CDK9 (0.46) CDK9MEN1KMT2AAKT1TGFBR1
SCHEMBL13202853 0.82 CDK9 (0.46) CDK9PIK3CATGFBR1TGFBR2CCNB2
SCHEMBL13202821 0.80 CDK9 (0.53) CDK9TGFBR1TGFBR2ALDH1A1KDM4E
SCHEMBL13220514 0.79 CDK9 (0.52) CDK9TGFBR1TGFBR2ALDH1A1KDM4E
SCHEMBL117207 0.79 CDK9 (0.72) CDK9TGFBR1TGFBR2ALDH1A1KDM4E
SCHEMBL4032497 0.76 CDK9 (0.46) CDK9PIK3CATGFBR1TGFBR2CCNB2
SCHEMBL13848030 0.76 CDK9 (0.66) CDK9MEN1KMT2AAKT1CCNB2
SCHEMBL4033403 0.76 MEN1 (0.44) CDK9MEN1KMT2AAKT1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307454-B1 DERIVATIVES OF VARIOLIN B PHARMA MAR SA (ES) 2009-06-03 EP claimed
US-7329666-B2 Derivatives of variolin B PHARMA MAR, S.A. (ES) 2008-02-12 US claimed
US-20040058939-A1 Derivatives of variolin b PHARMA MAR, S.A. (ES) 2004-03-25 US claimed
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
EP-1307454-B1 DERIVATIVES OF VARIOLIN B PHARMA MAR SA (ES) 2009-06-03 EP 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
US-7329666-B2 Derivatives of variolin B PHARMA MAR, S.A. (ES) 2008-02-12 US disclosed
US-7329666-B2 Derivatives of variolin B PHARMA MAR, S.A. (ES) 2008-02-12 US disclosed
US-7329666-B2 Derivatives of variolin B PHARMA MAR, S.A. (ES) 2008-02-12 US disclosed
US-20080033001-A1 Derivatives of Variolin B UNIVERSIDAD DE BARCELONA (ES) 2008-02-07 US disclosed
US-20080033001-A1 Derivatives of Variolin B UNIVERSIDAD DE BARCELONA (ES) 2008-02-07 US disclosed
US-20040058939-A1 Derivatives of variolin b PHARMA MAR, S.A. (ES) 2004-03-25 US disclosed
EP-1307454-A1 DERIVATIVES OF VARIOLIN B Universidad de Barcelona (ES) 2003-05-07 EP disclosed
WO-2002012240-A1 DERIVATIVES OF VARIOLIN B UNIVERSIDAD DE BARCELONA (ES) 2002-02-14 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 (3 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-20080033001-A1 Derivatives of Variolin B ARG2, SDHB, OAT CDK9 1601/4885PIK3CA 4121/4885MEN1 2136/4885
US-20040058939-A1 Derivatives of variolin b HNRNPA2B1, HNRNPAB, SYNCRIP CDK9 2228/4885PIK3CA 4077/4885MEN1 2386/4885
US-20090197901-A1 VARIOLIN DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS CBR3, CCNL2, HRH3 CDK9 1364/4885PIK3CA 2797/4885MEN1 3517/4885

“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.