SCHEMBL4821077

SCHEMBL4821077

COc1ccnc2c1c(-c1ccnc(NC(C)=O)n1)c1ccnc(NS(=O)(=O)c3ccc(C)cc3)n12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 7/20 0.46
CDK9 P50750 7/20 0.46
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
CCNA1 P78396 1/20 0.46
CDK5 Q00535 1/20 0.46
CDK5R1 Q15078 1/20 0.46
AKT1 P31749 2/20 0.42
PIK3CA P42336 2/20 0.42
MTOR P42345 2/20 0.42
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 2/20 0.38
HPGD P15428 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL4825123 0.77 ALDH1A1 (0.39) CCNT1CDK9CCNA2CDK2CCNA1
SCHEMBL4028536 0.76 CDK9 (0.45) CCNT1CDK9CCNA2CDK2CCNA1
SCHEMBL13847790 0.69 CDK9 (0.51) CDK9CDK2AKT1MEN1KMT2A
SCHEMBL4031312 0.68 SLC40A1 (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL14287940 0.68 CCNT1 (0.50) CCNT1CDK9CCNA2CDK2CCNA1
SCHEMBL4034066 0.68 CCNT1 (0.38) CCNT1CDK9CCNA2CDK2CCNA1
SCHEMBL4033384 0.67 SLC40A1 (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL13202876 0.65 CDK9 (1.00) CCNT1CDK9CCNA2CDK2CCNA1
SCHEMBL13202878 0.64 CDK9 (0.80) CCNT1CDK9CCNA2CDK2CCNA1
SCHEMBL13848030 0.63 CDK9 (0.66) CCNT1CDK9CCNA2CDK2CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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 (2 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 CCNT1 407/4885CDK9 1601/4885CCNA2 78/4885
US-20040058939-A1 Derivatives of variolin b HNRNPA2B1, HNRNPAB, SYNCRIP CCNT1 678/4885CDK9 2228/4885CCNA2 125/4885

“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.