SCHEMBL10324747

SCHEMBL10324747

CSc1nc(NCc2ccc(-c3ccccc3)cc2)n2ncc(C(C)C)c2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 15/20 0.54
CDK9 P50750 13/20 0.54
CDK5 Q00535 6/20 0.54
CDK7 P50613 6/20 0.54
CDK5R1 Q15078 5/20 0.54
CCNT1 O60563 4/20 0.54
CCNE1 P24864 3/20 0.54
CCNH P51946 3/20 0.54
CCNA2 P20248 2/20 0.54
DYRK1A Q13627 2/20 0.50
DYRK3 O43781 1/20 0.50
CLK1 P49759 1/20 0.50
CLK2 P49760 1/20 0.50
CLK3 P49761 1/20 0.50
DYRK2 Q92630 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
DYRK1B Q9Y463 1/20 0.50
USP1 O94782 2/20 0.48
WDR48 Q8TAF3 2/20 0.48
CDK1 P06493 2/20 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
SCHEMBL7886130 0.91 USP1 (0.51) CDK2CDK9CDK5CDK7CDK5R1
SCHEMBL7883742 0.89 CDK2 (0.51) CDK2CDK9CDK5CDK7CDK5R1
SCHEMBL7895863 0.88 CDK2 (0.65) CDK2CDK9CDK5CDK7CDK5R1
SCHEMBL10323982 0.87 CDK2 (0.45) CDK2CDK9CDK5CDK7CDK5R1
SCHEMBL9927211 0.87 CDK2 (0.50) CDK2CDK9CDK5CDK7CDK5R1
SCHEMBL15238161 0.85 CDK2 (0.48) CDK2CDK9CDK5CDK7CDK5R1
SCHEMBL23497820 0.83 CDK2 (0.44) CDK2CDK9CDK5CDK7CDK5R1
SCHEMBL23508051 0.83 CDK2 (0.44) CDK2CDK9CDK5CDK7CDK5R1
SCHEMBL18073030 0.82 CDK2 (0.51) CDK2CDK9CDK5CDK7CDK5R1
SCHEMBL29842280 0.82 CDK2 (0.51) CDK2CDK9CDK5CDK7CDK5R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8691982-B2 Pyrazolo[1,5-a]-1,3,5-triazine derivatives, preparation thereof, and therapeutic use thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-04-08 US disclosed
US-8691982-B2 Pyrazolo[1,5-a]-1,3,5-triazine derivatives, preparation thereof, and therapeutic use thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-04-08 US disclosed
EP-2406263-B1 PYRAZOLO[1,5-A]-1,3,5-TRIAZINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF CENTRE NAT RECH SCIENT (FR) 2013-09-25 EP disclosed
EP-2406263-B1 PYRAZOLO[1,5-A]-1,3,5-TRIAZINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF CENTRE NAT RECH SCIENT (FR) 2013-09-25 EP disclosed
US-20120184557-A1 PYRAZOLO[1,5-A]-1,3,5-TRIAZINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-07-19 US disclosed
US-20120184557-A1 PYRAZOLO[1,5-A]-1,3,5-TRIAZINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-07-19 US disclosed
US-20120184557-A1 PYRAZOLO[1,5-A]-1,3,5-TRIAZINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-07-19 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-20120184557-A1 PYRAZOLO[1,5-A]-1,3,5-TRIAZINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF AOC3, CBR3, RTN3 CDK2 1344/4885CDK9 1446/4885CDK5 1491/4885

“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.