SCHEMBL4032497

SCHEMBL4032497

CSc1nccc(-c2c3cccnc3n3c(=O)[nH]ccc23)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 3/20 0.46
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
CDK2 P24941 3/20 0.33
JAK2 O60674 2/20 0.33
JAK3 P52333 2/20 0.33
EPAS1 Q99814 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
CCNA2 P20248 2/20 0.33
CDK5 Q00535 2/20 0.33
CDK5R1 Q15078 2/20 0.33
CCNT1 O60563 1/20 0.33
CCNA1 P78396 1/20 0.33
CSNK1E P49674 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ACHE P22303 1/20 0.32

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
SCHEMBL14269088 0.85 CDK9 (0.48) CDK9KDM4EALDH1A1HPGDCDK2
SCHEMBL14269063 0.83 CDK2 (0.38) CDK9KDM4EALDH1A1HPGDCDK2
SCHEMBL14294280 0.82 CDK2 (0.37) CDK9KDM4EALDH1A1HPGDCDK2
SCHEMBL13202821 0.81 CDK9 (0.53) CDK9KDM4EALDH1A1HPGDCDK2
SCHEMBL13220514 0.80 CDK9 (0.52) CDK9KDM4EALDH1A1HPGDCDK2
SCHEMBL117207 0.80 CDK9 (0.72) CDK9KDM4EALDH1A1HPGDCDK2
SCHEMBL14269074 0.78 CDK9 (0.41) CDK9KDM4EALDH1A1HPGDCDK2
SCHEMBL13202853 0.76 CDK9 (0.46) CDK9KDM4EALDH1A1HPGDCSNK1E
SCHEMBL4029230 0.76 CDK9 (0.46) CDK9KDM4EALDH1A1L3MBTL1TGFBR1
SCHEMBL13202845 0.74 CDK9 (0.42) CDK9KDM4EALDH1A1HPGDCDK2

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 15 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
EP-1307454-A1 DERIVATIVES OF VARIOLIN B Universidad de Barcelona (ES) 2003-05-07 EP claimed
WO-2002012240-A1 DERIVATIVES OF VARIOLIN B UNIVERSIDAD DE BARCELONA (ES) 2002-02-14 WO claimed
US-20090203750-A1 5-HT2C Receptor Agonists as Anorectic Agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-08-13 US disclosed
EP-1307454-B1 DERIVATIVES OF VARIOLIN B PHARMA MAR SA (ES) 2009-06-03 EP disclosed
EP-1307454-B1 DERIVATIVES OF VARIOLIN B PHARMA MAR SA (ES) 2009-06-03 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-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 1601/4885KDM4E 1443/4885ALDH1A1 1460/4885
US-20040058939-A1 Derivatives of variolin b HNRNPA2B1, HNRNPAB, SYNCRIP CDK9 2228/4885KDM4E 1485/4885ALDH1A1 1470/4885
US-20090203750-A1 5-HT2C Receptor Agonists as Anorectic Agents HTR2C, HTR2A, HTR5A CDK9 4418/4885KDM4E 3146/4885ALDH1A1 1292/4885

“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.