SCHEMBL12486174

SCHEMBL12486174

CN1CCN(c2ncnc(Nc3cccc(CS(N)(=O)=O)c3)n2)CC1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 17/20 0.53
CCNT1 O60563 1/20 0.52
CCNE2 O96020 1/20 0.52
CCNE1 P24864 1/20 0.52
CDK2 P24941 1/20 0.52
CDK9 P50750 1/20 0.52
JAK2 O60674 1/20 0.47
MTOR P42345 1/20 0.46
SMG1 Q96Q15 1/20 0.46

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 0.90 CCNT1 (0.54) SCN9ACCNT1CCNE2CCNE1CDK2
SCHEMBL12487181 0.89 USP2 (0.47) SCN9ACCNT1CCNE2CCNE1CDK2
SCHEMBL12487113 0.89 CDK2 (0.53) SCN9ACCNT1CCNE2CCNE1CDK2
SCHEMBL12485723 0.88 CA12 (0.52) SCN9ACCNT1CCNE2CCNE1CDK2
SCHEMBL12486402 0.88 CCNT1 (0.49) SCN9ACCNT1CCNE2CCNE1CDK2
SCHEMBL12486627 0.86 CCNT1 (0.50) SCN9ACCNT1CCNE2CCNE1CDK2
SCHEMBL12486620 0.84 SCN9A (0.67) SCN9A
SCHEMBL12487169 0.83 SCN9A (0.51) SCN9ACCNT1CCNE2CCNE1CDK2
SCHEMBL12485374 0.82 SCN9A (0.48) SCN9ACCNT1CCNE2CCNE1CDK2
SCHEMBL12486441 0.82 SCN9A (0.48) SCN9ACCNT1CCNE2CCNE1CDK2

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 11 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
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 SCN9A 4613/4885CCNT1 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.