SCHEMBL14194752

SCHEMBL14194752

CSc1nc(NCc2ccc[n+]([O-])c2)n2ncc(C(F)(F)F)c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 7/20 0.41
▸ CCNA2 P20248 3/20 0.41
▸ CCNA1 P78396 2/20 0.41
▸ CCNE1 P24864 3/20 0.39
▸ CDK5 Q00535 7/20 0.36
▸ CDK9 P50750 6/20 0.36
▸ CDK1 P06493 4/20 0.36
▸ CDK7 P50613 3/20 0.36
▸ GSK3B P49841 3/20 0.36
▸ CDK5R1 Q15078 3/20 0.36
▸ GSK3A P49840 2/20 0.36
▸ TAOK1 Q7L7X3 2/20 0.36
▸ CCNT1 O60563 2/20 0.36
▸ CCNH P51946 2/20 0.36
▸ CCNT2 O60583 1/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ CCNK O75909 1/20 0.36
▸ CCNB2 O95067 1/20 0.36
▸ CCNE2 O96020 1/20 0.36
▸ CDK4 P11802 1/20 0.36

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
SCHEMBL17690308 0.89 SRC (0.35) CDK2CCNA2CCNE1CDK5CDK9
SCHEMBL14194717 0.84 CDK2 (0.50) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL14194748 0.83 CDK2 (0.44) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL14194754 0.74 CDK2 (0.62) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL25255341 0.74 — —
SCHEMBL14194739 0.73 CDK2 (0.41) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL17690298 0.72 CDK2 (0.37) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL17690303 0.71 CDK2 (0.38) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL23508152 0.71 EGLN1 (0.34) CDK2CDK9CDK1CDK7CDK12
SCHEMBL30013417 0.71 EGLN1 (0.34) CDK2CDK9CDK1CDK7CDK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7354921-B2 Pyrazolotriazines as kinase inhibitors SCHERING CORPORATION (US) 2008-04-08 — — US disclosed
US-20070032495-A1 Pyrazolotriazines as kinase inhibitors MERCK SHARP & DOHME LLC 2007-02-08 — — US disclosed
US-7166602-B2 Pyrazolotriazines as kinase inhibitors SCHERING CORPORATION (US) 2007-01-23 — — 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-20070032495-A1 Pyrazolotriazines as kinase inhibitors CDK2, CDK5, CDK1 CDK2 1/4885CCNA2 92/4885CCNA1 84/4885

“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.

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