SCHEMBL2960574

SCHEMBL2960574

c1cnc2c(c1)cc1ccncn12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCOA3 Q9Y6Q9 1/20 0.37
KDM4E B2RXH2 4/20 0.34
CDC7 O00311 1/20 0.34
CDK2 P24941 1/20 0.34
CYP2C19 P33261 3/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
ATM Q13315 2/20 0.34
MEN1 O00255 2/20 0.34
CYP1A2 P05177 2/20 0.34
KMT2A Q03164 2/20 0.34
AHR P35869 1/20 0.34
CCR1 P32246 2/20 0.33
CCR8 P51685 2/20 0.33
HTT P42858 2/20 0.33
PARP1 P09874 1/20 0.33
GMNN O75496 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
HSP90AA1 P07900 1/20 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
SCHEMBL29895259 0.75 CYP11B2 (0.41) KDM4ECDC7CDK2CYP2C19CYP3A4
SCHEMBL5509760 0.74 SLC6A2 (0.39) LMNATP53MAPTTSHRSMN1; SMN2
SCHEMBL5728067 0.74 KDM4E (0.40) NCOA3KDM4ECDC7CDK2CYP2C19
SCHEMBL13812076 0.67 MEN1 (0.37) KDM4ECDC7CDK2CYP2C19CYP3A4
SCHEMBL14269055 0.67 SLC22A12 (0.38) KDM4ECDC7CDK2CYP2C19CYP3A4
SCHEMBL4033131 0.67 CDK9 (0.43) KDM4ECDC7CDK2CYP2C19CYP3A4
SCHEMBL6478532 0.66 CCNB2 (0.49) KDM4ECDC7CDK2MEN1KMT2A
SCHEMBL1016624 0.64 GABRA5 (0.36) KDM4EMEN1KMT2ATP53RAB9A
SCHEMBL8324162 0.64 CCR1 (0.43) KDM4ECDC7CDK2CYP2C19CYP3A4
SCHEMBL29468208 0.63 AHR (0.47) KDM4ECDC7CDK2CYP2C19CYP3A4

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
WO-2013014314-A2 DERIVATIVES OF 5-AZOLONE AS CALPAIN INHIBITORS UNIVERSIDAD DE ALCALÁ (ES) 2013-01-31 WO 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-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
US-20090197901-A1 VARIOLIN DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS PHARMA MAR, S.A. (ES) 2009-08-06 US disclosed
EP-1299388-B1 VARIOLIN DERIVATIVES AS ANTI-CANCER AGENTS PHARMA MAR SA (ES) 2009-05-13 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
US-7495000-B2 Variolin derivatives and their use as antitumor agents PHARMA MAR, S.A. (ES) 2009-02-24 US disclosed
US-7329666-B2 Derivatives of variolin B PHARMA MAR, S.A. (ES) 2008-02-12 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-7320981-B2 Antitumor agents PHARMA MAR, S.A. (ES) 2008-01-22 US disclosed
US-20060235223-A1 Variolin derivatives and their use as antitumor agents PHARMA MAR, S.A. (ES) 2006-10-19 US disclosed
US-20040058939-A1 Derivatives of variolin b PHARMA MAR, S.A. (ES) 2004-03-25 US 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-20040058939-A1 Derivatives of variolin b HNRNPA2B1, HNRNPAB, SYNCRIP NCOA3 336/4885KDM4E 1485/4885CDC7 2970/4885
US-20090197901-A1 VARIOLIN DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS CBR3, CCNL2, HRH3 NCOA3 350/4885KDM4E 3306/4885CDC7 781/4885
US-20060235223-A1 Variolin derivatives and their use as antitumor agents CBR3, CCNL2, HRH3 NCOA3 399/4885KDM4E 3300/4885CDC7 833/4885

“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.