SCHEMBL4028536

SCHEMBL4028536

Cc1ccc(S(=O)(=O)Nc2nccc3c(-c4ccnc(N)n4)c4c(O)ccnc4n23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 3/20 0.45
CDK2 P24941 2/20 0.45
CCNT1 O60563 1/20 0.45
CCNA2 P20248 1/20 0.45
CCNA1 P78396 1/20 0.45
CDK5 Q00535 1/20 0.45
CDK5R1 Q15078 1/20 0.45
EPAS1 Q99814 1/20 0.38
ALDH1A1 P00352 4/20 0.37
TDP1 Q9NUW8 3/20 0.37
HTT P42858 3/20 0.37
GAA P10253 2/20 0.37
NPC1 O15118 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GFER P55789 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 4/20 0.35
KMT2A Q03164 3/20 0.35
LMNA P02545 2/20 0.35
MITF O75030 1/20 0.35

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
SCHEMBL4821077 0.76 CCNT1 (0.46) CDK9CDK2CCNT1CCNA2CCNA1
Variolin B SCHEMBL13175404 0.76 CDK2 (0.68) CDK9CDK2CCNT1CCNA2CCNA1
Variolin B SCHEMBL29353680 0.76 CDK2 (0.68) CDK9CDK2CCNT1CCNA2CCNA1
SCHEMBL13848026 0.71 FLT3 (0.39) CDK9CDK2CCNT1CCNA2CCNA1
SCHEMBL13202976 0.69 CDK9 (0.58) CDK9CDK2CCNT1CCNA2CCNA1
SCHEMBL4030515 0.68 TDP1 (0.52) ALDH1A1TDP1HTTGAANPC1
SCHEMBL4825123 0.68 ALDH1A1 (0.39) CDK9CDK2CCNT1CCNA2CCNA1
SCHEMBL13952907 0.67 CDK2 (0.72) CDK9CDK2CCNT1CCNA2CCNA1
SCHEMBL4029234 0.66 KMT2A (0.49) ALDH1A1TDP1HTTGAANPC1
SCHEMBL4029308 0.66 MEN1 (0.47) ALDH1A1TDP1HTTGAANPC1

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 9 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 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 CDK9 1601/4885CDK2 76/4885CCNT1 407/4885
US-20040058939-A1 Derivatives of variolin b HNRNPA2B1, HNRNPAB, SYNCRIP CDK9 2228/4885CDK2 142/4885CCNT1 678/4885

“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.