SCHEMBL19896512

SCHEMBL19896512

CCc1cnn2c(NCc3cccc([N+](=O)[O-])c3)nc(OC3CCN(C)CC3)nc12

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 12/20 0.59
▸ CDK9 P50750 11/20 0.59
▸ CCNE1 P24864 1/20 0.49
▸ JAK2 O60674 1/20 0.46
▸ JAK3 P52333 1/20 0.46
▸ PTK2 Q05397 1/20 0.46
▸ MET P08581 2/20 0.44
▸ HRH4 Q9H3N8 1/20 0.44
▸ CDK7 P50613 2/20 0.43
▸ CCNH P51946 2/20 0.43
▸ MNAT1 P51948 2/20 0.43

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
SCHEMBL18051007 0.89 CDK2 (0.76) CDK2CDK9CCNE1CDK7CCNH
SCHEMBL18050962 0.87 CDK2 (0.77) CDK2CDK9CCNE1CDK7CCNH
SCHEMBL29842016 0.87 CDK2 (0.77) CDK2CDK9CCNE1CDK7CCNH
SCHEMBL18051077 0.78 KCNN3 (0.47) JAK2JAK3PTK2METHRH4
SCHEMBL18050937 0.77 CDK2 (0.62) CDK2CDK9CDK7CCNHMNAT1
SCHEMBL29842284 0.77 CDK2 (0.62) CDK2CDK9CDK7CCNHMNAT1
SCHEMBL18051068 0.77 KCNN3 (0.46) JAK2JAK3PTK2METHRH4
SCHEMBL18073012 0.76 CDK7 (0.72) CDK2CDK9CDK7CCNHMNAT1
SCHEMBL15241386 0.75 CDK2 (0.80) CDK2CDK9CCNE1CDK7CCNH
SCHEMBL19918841 0.75 CDK2 (0.79) CDK2CDK9CCNE1CDK7CCNH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220281871-A1 Pyrazolo[1,5-A][1,3,5]Triazine and Pyrazolo[1,5-A]Pyrimidine Derivatives as CDK Inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2022-09-08 — — US disclosed
US-11186576-B2 Pyrazolo[1,5-A][1,3,5]triazine and pyrazolo[1,5-A]pyrimidine derivatives as CDK inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2021-11-30 — — US disclosed
US-11186576-B2 Pyrazolo[1,5-A][1,3,5]triazine and pyrazolo[1,5-A]pyrimidine derivatives as CDK inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2021-11-30 — — US disclosed
EP-3268000-B1 PYRAZOLO[1,5-A][1,3,5]TRIAZINE AND PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AS CDK INHIBITORS AURIGENE DISCOVERY TECH LTD (IN) 2021-08-04 — — EP disclosed
US-20180258092-A9 Pyrazolo[1,5-A][1,3,5]Triazine and Pyrazolo[1,5-A]Pyrimidine Derivatives as CDK Inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-09-13 — — US disclosed
US-20180057497-A1 Pyrazolo[1,5-A][1,3,5]Triazine and Pyrazolo[1,5-A]Pyrimidine Derivatives as CDK Inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-03-01 — — US disclosed
US-20180057497-A1 Pyrazolo[1,5-A][1,3,5]Triazine and Pyrazolo[1,5-A]Pyrimidine Derivatives as CDK Inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-03-01 — — US disclosed
US-20180057497-A1 Pyrazolo[1,5-A][1,3,5]Triazine and Pyrazolo[1,5-A]Pyrimidine Derivatives as CDK Inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-03-01 — — 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 (4 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-20180057497-A1 Pyrazolo[1,5-A][1,3,5]Triazine and Pyrazolo[1,5-A]Pyrimidine Derivatives as CDK Inhibitors CDK15, CDK1, CDK19 CDK2 13/4885CDK9 8/4885CCNE1 33/4885
US-20220281871-A1 Pyrazolo[1,5-A][1,3,5]Triazine and Pyrazolo[1,5-A]Pyrimidine Derivatives as CDK Inhibitors CDK15, CDK13, CDK1 CDK2 16/4885CDK9 10/4885CCNE1 39/4885
US-11186576-B2 Pyrazolo[1,5-A][1,3,5]triazine and pyrazolo[1,5-A]pyrimidine derivatives as CDK inhibitors CDK15, CDK1, CDK19 CDK2 13/4885CDK9 8/4885CCNE1 33/4885
US-20180258092-A9 Pyrazolo[1,5-A][1,3,5]Triazine and Pyrazolo[1,5-A]Pyrimidine Derivatives as CDK Inhibitors CDK15, CDK1, CDK19 CDK2 13/4885CDK9 8/4885CCNE1 33/4885

“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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