SCHEMBL12486272

SCHEMBL12486272

NS(=O)(=O)Cc1cccc(Nc2ncnc(N3CCCc4ccccc43)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 5/20 0.45
CDK2 P24941 5/20 0.45
CDK9 P50750 5/20 0.45
CDK5 Q00535 4/20 0.45
CCNE1 P24864 4/20 0.45
NEK2 P51955 2/20 0.45
MAP4K4 O95819 2/20 0.45
GSK3A P49840 2/20 0.45
CDK7 P50613 2/20 0.45
FLT3 P36888 2/20 0.45
CCNE2 O96020 1/20 0.45
AURKA O14965 1/20 0.45
DAPK3 O43293 1/20 0.45
JAK2 O60674 1/20 0.45
PRKD3 O94806 1/20 0.45
PAK4 O96013 1/20 0.45
ABL1 P00519 1/20 0.45
NTRK1 P04629 1/20 0.45
LCK P06239 1/20 0.45
FYN P06241 1/20 0.45

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
SCHEMBL12485656 0.94 SCN9A (0.48) CCNT1CDK2CDK9CDK5CCNE1
SCHEMBL12486620 0.81 SCN9A (0.67) SCN9AKCNH2SCN5A
SCHEMBL12485572 0.81 CCNT1 (0.54) CCNT1CDK2CDK9CCNE1NEK2
SCHEMBL12487104 0.80 CCNT1 (0.46) CCNT1CDK2CDK9CDK5CCNE1
SCHEMBL12487113 0.80 CDK2 (0.53) CCNT1CDK2CDK9CCNE1NEK2
SCHEMBL12486174 0.79 SCN9A (0.53) CCNT1CDK2CDK9CCNE1CCNE2
SCHEMBL12485755 0.78 SCN9A (0.54) SCN9AKCNH2SCN5A
SCHEMBL12487141 0.77 SCN9A (0.54) CCNT1CDK2CDK9CCNE1CCNE2
SCHEMBL12487116 0.77 SCN9A (0.47) CCNT1CDK2CDK9CDK5CCNE1
SCHEMBL12485723 0.77 CA12 (0.52) CCNT1CDK2CDK9CCNE1CCNE2

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2748331-B1 SUSCEPTIBILITY TO SELECTIVE CDK9 INHIBITORS LEAD DISCOVERY CENTER GMBH (DE) 2016-03-02 EP claimed
US-20150329537-A2 CDK9 INHIBITORS IN THE TREATMENT OF MIDLINE CARCINOMA LEADDISCOVERY CENTER GMBH (DE) 2015-11-19 US claimed
US-20140287454-A1 SUSCEPTIBILITY TO SELECTIVE CDK9 INHIBITORS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2014-09-25 US claimed
EP-2747755-A1 CDK9 INHIBITORS IN THE TREATMENT OF MIDLINE CARCINOMA Lead Discovery Center GmbH (DE) 2014-07-02 EP claimed
WO-2013026874-A1 CDK9 INHIBITORS IN THE TREATMENT OF MIDLINE CARCINOMA LEAD DISCOVERY CENTER GMBH (DE) 2013-02-28 WO claimed
EP-2561867-A1 CDK9 inhibitors in the treatment of midline carcinoma Lead Discovery Center GmbH (DE) 2013-02-27 EP claimed
EP-2562265-A1 Susceptibility to selective CDK9 inhibitors Lead Discovery Center GmbH (DE) 2013-02-27 EP claimed
EP-2748331-B1 SUSCEPTIBILITY TO SELECTIVE CDK9 INHIBITORS LEAD DISCOVERY CENTER GMBH (DE) 2016-03-02 EP disclosed
US-9226929-B2 Pharmaceutically active disubstituted triazine derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-05 US disclosed
US-9226929-B2 Pharmaceutically active disubstituted triazine derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-05 US disclosed
US-9226929-B2 Pharmaceutically active disubstituted triazine derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-05 US disclosed
US-20150329537-A2 CDK9 INHIBITORS IN THE TREATMENT OF MIDLINE CARCINOMA LEADDISCOVERY CENTER GMBH (DE) 2015-11-19 US disclosed
US-20150329537-A2 CDK9 INHIBITORS IN THE TREATMENT OF MIDLINE CARCINOMA LEADDISCOVERY CENTER GMBH (DE) 2015-11-19 US disclosed
US-20140179662-A1 PHARMACEUTICALLY ACTIVE DISUBSTITUTED TRIAZINE DERIVATIVES LEAD DISCOVERY CENTER GMBH (DE) 2014-06-26 US disclosed
US-20140179662-A1 PHARMACEUTICALLY ACTIVE DISUBSTITUTED TRIAZINE DERIVATIVES LEAD DISCOVERY CENTER GMBH (DE) 2014-06-26 US disclosed
US-20140179662-A1 PHARMACEUTICALLY ACTIVE DISUBSTITUTED TRIAZINE DERIVATIVES LEAD DISCOVERY CENTER GMBH (DE) 2014-06-26 US disclosed
EP-2680852-A1 PHARMACEUTICALLY ACTIVE DISUBSTITUTED TRIAZINE DERIVATIVES Lead Discovery Center GmbH (DE) 2014-01-08 EP disclosed
EP-2561867-A1 CDK9 inhibitors in the treatment of midline carcinoma Lead Discovery Center GmbH (DE) 2013-02-27 EP disclosed
EP-2562265-A1 Susceptibility to selective CDK9 inhibitors Lead Discovery Center GmbH (DE) 2013-02-27 EP disclosed
WO-2012117048-A1 PHARMACEUTICALLY ACTIVE DISUBSTITUTED TRIAZINE DERIVATIVES LEAD DISCOVERY CENTER GMBH (DE) 2012-09-07 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-20140179662-A1 PHARMACEUTICALLY ACTIVE DISUBSTITUTED TRIAZINE DERIVATIVES PDE5A, TESK2, PAK5 CCNT1 3922/4885CDK2 621/4885CDK9 681/4885
US-20150329537-A2 CDK9 INHIBITORS IN THE TREATMENT OF MIDLINE CARCINOMA CDK9, CDK19, CDKN1A CCNT1 41/4885CDK2 27/4885CDK9 1/4885

“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.