Sugi Predict

Sugi Predict / Compounds / SCHEMBL7886142

SCHEMBL7886142

SCHEMBL7886142

CCc1cnn2c(NCc3ccc(-c4cccnc4)cc3)nc(N3CCCC[C@@H]3CCO)nc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 12/20 0.51
▸ CDK9 P50750 8/20 0.51
▸ CCNE1 P24864 7/20 0.51
▸ CDK12 Q9NYV4 7/20 0.51
▸ CDK5 Q00535 6/20 0.51
▸ CCNK O75909 6/20 0.51
▸ CDK1 P06493 5/20 0.51
▸ CDK7 P50613 4/20 0.51
▸ GSK3B P49841 3/20 0.51
▸ GSK3A P49840 2/20 0.51
▸ TAOK1 Q7L7X3 2/20 0.51
▸ CCNT1 O60563 2/20 0.51
▸ CCNH P51946 2/20 0.51
▸ MNAT1 P51948 2/20 0.51
▸ CDK13 Q14004 2/20 0.51
▸ CCNT2 O60583 1/20 0.51
▸ BRD4 O60885 1/20 0.51
▸ CCNB2 O95067 1/20 0.51
▸ CCNE2 O96020 1/20 0.51
▸ CDK4 P11802 1/20 0.51

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
SCHEMBL14194657 0.91 CDK2 (0.56) CDK2CDK9CCNE1CDK12CDK5
SCHEMBL1720873 0.87 CDK2 (0.57) CDK2CDK9CCNE1CDK12CDK5
SCHEMBL10322875 0.87 CDK2 (0.57) CDK2CDK9CCNE1CDK12CDK5
SCHEMBL14194670 0.85 CDK2 (0.54) CDK2CDK9CCNE1CDK12CDK5
SCHEMBL14194742 0.84 CDK2 (0.55) CDK2CDK9CCNE1CDK12CDK5
SCHEMBL14194667 0.84 CDK2 (0.52) CDK2CDK9CCNE1CDK12CDK5
SCHEMBL14194663 0.82 CDK2 (0.52) CDK2CDK9CCNE1CDK12CDK5
SCHEMBL14194686 0.82 CDK2 (0.52) CDK2CDK9CCNE1CDK12CDK5
SCHEMBL14194656 0.82 CDK2 (0.52) CDK2CDK9CCNE1CDK12CDK5
SCHEMBL14194740 0.81 CDK1 (0.63) CDK2CDK9CCNE1CDK12CDK5

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 6 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
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
WO-2010103486-A1 PYRAZOLO[1,5-A]-1,3,5-TRIAZINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-09-16 — — 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-20120184557-A1 PYRAZOLO[1,5-A]-1,3,5-TRIAZINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF AOC3, CBR3, RTN3 CDK2 1344/4885CDK9 1446/4885CCNE1 905/4885

“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.