SCHEMBL21481529

SCHEMBL21481529

CN(C)C/C=C/C(=O)Nc1cccc(C(=O)Nc2cccc(CN)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IRAK1 P51617 2/20 0.55
▸ CDK14 O94921 5/20 0.54
▸ CCNY Q8ND76 5/20 0.54
▸ MAPK8 P45983 3/20 0.54
▸ MAPK9 P45984 3/20 0.54
▸ MAPK10 P53779 3/20 0.54
▸ PIP4K2A P48426 5/20 0.52
▸ PIP4K2B P78356 5/20 0.52
▸ CDK7 P50613 3/20 0.50
▸ CCNH P51946 2/20 0.50
▸ MNAT1 P51948 2/20 0.50
▸ ACKR3 P25106 1/20 0.49
▸ CDK2 P24941 2/20 0.48
▸ CDK9 P50750 2/20 0.48
▸ BTK Q06187 1/20 0.48
▸ CDK1 P06493 1/20 0.47
▸ CDK8 P49336 1/20 0.47
▸ CDK5 Q00535 1/20 0.47

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
SCHEMBL21282715 0.86 IRAK1 (0.57) IRAK1CDK14CCNYMAPK8MAPK9
SCHEMBL28421380 0.86 IRAK1 (0.57) IRAK1CDK14CCNYMAPK8MAPK9
SCHEMBL28928229 0.83 IRAK1 (0.56) IRAK1CDK14CCNYMAPK8MAPK9
SCHEMBL21481476 0.82 ACKR3 (0.47) CDK14CCNYPIP4K2APIP4K2BACKR3
SCHEMBL31069490 0.82 PARP1 (0.65) IRAK1CDK14CCNYMAPK8MAPK9
SCHEMBL30731007 0.82 PARP1 (0.65) IRAK1CDK14CCNYMAPK8MAPK9
SCHEMBL21481530 0.81 CDK14 (0.50) IRAK1CDK14CCNYMAPK8MAPK9
SCHEMBL21344948 0.81 DHODH (0.56) CDK14CCNYPIP4K2APIP4K2BCDK7
SCHEMBL30716322 0.81 CREBBP (0.55) IRAK1CDK14CCNYMAPK8MAPK9
SCHEMBL26696906 0.81 CREBBP (0.55) IRAK1CDK14CCNYMAPK8MAPK9

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-11858937-B2 Substituted pyrazolo[1,5-a]pyrimidines and pyrazolo[1,5-a][1,3,5]triazines as CDK inhibitors QURIENT CO., LTD. (KR) 2024-01-02 — — US disclosed
US-20210139483-A1 PHARMACEUTICALLY ACTIVE PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES LEAD DISCOVERY CENTER GMBH (DE) 2021-05-13 — — US disclosed
WO-2019197546-A1 PHARMACEUTICALLY ACTIVE PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES QURIENT CO., LTD. (KR) 2019-10-17 — — 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 (2 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-11858937-B2 Substituted pyrazolo[1,5-a]pyrimidines and pyrazolo[1,5-a][1,3,5]triazines as CDK inhibitors CDKL5, CDK15, CDK5 IRAK1 164/4885CDK14 26/4885CCNY 46/4885
US-20210139483-A1 PHARMACEUTICALLY ACTIVE PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES IL5, THPO, TYMP IRAK1 276/4885CDK14 577/4885CCNY 597/4885

“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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