SCHEMBL117207

SCHEMBL117207

CSc1nccc(-c2c3cccnc3n3c(N)nccc23)n1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 4/20 0.72
CDK2 P24941 4/20 0.46
CCNA2 P20248 3/20 0.46
CDK5 Q00535 3/20 0.46
CDK5R1 Q15078 3/20 0.46
CCNT1 O60563 2/20 0.46
CCNA1 P78396 2/20 0.46
MAPK14 Q16539 2/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
CSNK1E P49674 2/20 0.36
EPAS1 Q99814 1/20 0.35
TGFBR1 P36897 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 1/20 0.34
TGFBR2 P37173 1/20 0.33
DYRK1A Q13627 3/20 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
SCHEMBL13202947 0.87 CDK9 (0.67) CDK9CDK2CCNA2CDK5CDK5R1
SCHEMBL13202821 0.87 CDK9 (0.53) CDK9CDK2CCNA2CDK5CDK5R1
SCHEMBL13220514 0.86 CDK9 (0.52) CDK9CDK2CCNA2CDK5CDK5R1
SCHEMBL13202831 0.86 CDK9 (0.52) CDK9CDK2CCNA2CDK5CDK5R1
SCHEMBL13202946 0.85 CDK9 (0.65) CDK9CDK2CCNA2CDK5CDK5R1
SCHEMBL13202856 0.84 CDK9 (0.77) CDK9CDK2CCNA2CDK5CDK5R1
SCHEMBL4033318 0.84 CDK9 (1.00) CDK9CDK2CCNA2CDK5CDK5R1
SCHEMBL13175630 0.82 CDK9 (0.55) CDK9CDK2CCNA2CDK5CDK5R1
SCHEMBL13202858 0.81 CDK9 (0.81) CDK9CDK2CCNA2CDK5CDK5R1
SCHEMBL13220587 0.81 CDK9 (0.77) CDK9CDK2CCNA2CDK5CDK5R1

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 23 patents — showing the first 20. 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-20120058133-A1 INHIBITION OF TRNA SYNTHETASES AND THERAPEUTIC APPLICATIONS THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-03-08 US disclosed
US-20120058133-A1 INHIBITION OF TRNA SYNTHETASES AND THERAPEUTIC APPLICATIONS THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-03-08 US 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
EP-1307454-B1 DERIVATIVES OF VARIOLIN B PHARMA MAR SA (ES) 2009-06-03 EP disclosed
EP-1299388-B1 VARIOLIN DERIVATIVES AS ANTI-CANCER AGENTS PHARMA MAR SA (ES) 2009-05-13 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-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-7320981-B2 Antitumor agents PHARMA MAR, S.A. (ES) 2008-01-22 US disclosed
US-7320981-B2 Antitumor agents PHARMA MAR, S.A. (ES) 2008-01-22 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 (4 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 1601/4885CDK2 76/4885CCNA2 78/4885
US-20120058133-A1 INHIBITION OF TRNA SYNTHETASES AND THERAPEUTIC APPLICATIONS THEREOF AARS1, GARS1, TRMT1 CDK9 2332/4885CDK2 3129/4885CCNA2 4324/4885
US-20040058939-A1 Derivatives of variolin b HNRNPA2B1, HNRNPAB, SYNCRIP CDK9 2228/4885CDK2 142/4885CCNA2 125/4885
US-20090197901-A1 VARIOLIN DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS CBR3, CCNL2, HRH3 CDK9 1364/4885CDK2 48/4885CCNA2 37/4885

“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.