SCHEMBL16659552

SCHEMBL16659552

CNc1nc(S(C)(=O)=O)nc2c(C(C)C)cnn12

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 17/20 0.40
GSK3B P49841 3/20 0.40
CDK9 P50750 13/20 0.35
CDK5 Q00535 3/20 0.34
CDK5R1 Q15078 3/20 0.34
CCNT1 O60563 1/20 0.34
CCNA2 P20248 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK7 P50613 1/20 0.34
CCNH P51946 1/20 0.34

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
SCHEMBL30716274 0.82 CDK2 (0.45) CDK2GSK3BCDK9CDK5CDK5R1
SCHEMBL15238119 0.81 CDK2 (0.40) CDK2GSK3BCDK9CDK5CDK5R1
SCHEMBL15245996 0.81 CDK2 (0.40) CDK2GSK3BCDK9CDK5CDK5R1
SCHEMBL15224593 0.80 CDK2 (0.40) CDK2GSK3BCDK9CDK5CDK5R1
SCHEMBL15224594 0.80 CDK2 (0.40) CDK2GSK3BCDK9CDK5CDK5R1
SCHEMBL15224590 0.80 CDK2 (0.39) CDK2GSK3BCDK9CDK5CDK5R1
SCHEMBL15242607 0.79 PDE1C (0.43) CDK2GSK3BCDK5CDK5R1
SCHEMBL15242603 0.79 CDK2 (0.37) CDK2GSK3BCDK9CDK5CDK5R1
SCHEMBL15242630 0.79 CDK2 (0.39) CDK2GSK3BCDK9CDK5CDK5R1
SCHEMBL15242721 0.78 CDK2 (0.37) CDK2GSK3BCDK9CDK5CDK5R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096608-B2 Pharmaceutically active pyrazolo-triazine derivatives LEAD DISCOVERY CENTER GMBH (DE) 2015-08-04 US disclosed
US-20150111873-A1 PHARMACEUTICALLY ACTIVE PYRAZOLO-TRIAZINE DERIVATIVES LEAD DISCOVERY CENTER GMBH (DE) 2015-04-23 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 (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-20150111873-A1 PHARMACEUTICALLY ACTIVE PYRAZOLO-TRIAZINE DERIVATIVES PAK5, STK35, TESK2 CDK2 468/4885GSK3B 418/4885CDK9 484/4885

“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.