SCHEMBL12487113

SCHEMBL12487113

NS(=O)(=O)Cc1cccc(Nc2ncnc(N3CCCCC3)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.53
CCNT1 O60563 1/20 0.53
CCNE2 O96020 1/20 0.53
CCNE1 P24864 1/20 0.53
CDK9 P50750 1/20 0.53
SCN9A Q15858 13/20 0.51
NEK2 P51955 1/20 0.48
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTT P42858 1/20 0.46
IDH2 P48735 1/20 0.45
CDK1 P06493 1/20 0.45
MTOR P42345 1/20 0.45
SMG1 Q96Q15 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL12485572 0.99 CCNT1 (0.54) CDK2CCNT1CCNE2CCNE1CDK9
SCHEMBL12486402 0.89 CCNT1 (0.49) CDK2CCNT1CCNE2CCNE1CDK9
SCHEMBL12485723 0.89 CA12 (0.52) CDK2CCNT1CCNE2CCNE1CDK9
SCHEMBL12486174 0.89 SCN9A (0.53) CDK2CCNT1CCNE2CCNE1CDK9
SCHEMBL12486627 0.88 CCNT1 (0.50) CDK2CCNT1CCNE2CCNE1CDK9
SCHEMBL12485560 0.86 CCNT1 (0.49) CDK2CCNT1CCNE2CCNE1CDK9
SCHEMBL12486620 0.84 SCN9A (0.67) SCN9A
SCHEMBL27950687 0.83 CDK2 (0.46) CDK2CCNT1CCNE2CCNE1CDK9
SCHEMBL12485374 0.82 SCN9A (0.48) CDK2CCNT1CCNE2CCNE1CDK9
SCHEMBL12486508 0.82 CCNT1 (0.49) CDK2CCNT1CCNE2CCNE1CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9226929-B2 Pharmaceutically active disubstituted triazine derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-05 US claimed
US-20140179662-A1 PHARMACEUTICALLY ACTIVE DISUBSTITUTED TRIAZINE DERIVATIVES LEAD DISCOVERY CENTER GMBH (DE) 2014-06-26 US claimed
CN-103582482-A Pharmaceutically active disubstituted triazine derivatives LEAD DISCOVERY CENTER GMBH 2014-02-12 CN claimed
EP-2680852-A1 PHARMACEUTICALLY ACTIVE DISUBSTITUTED TRIAZINE DERIVATIVES Lead Discovery Center GmbH (DE) 2014-01-08 EP claimed
WO-2012117048-A1 PHARMACEUTICALLY ACTIVE DISUBSTITUTED TRIAZINE DERIVATIVES LEAD DISCOVERY CENTER GMBH (DE) 2012-09-07 WO claimed
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-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
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 (1 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 CDK2 621/4885CCNT1 3922/4885CCNE2 3584/4885

“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.