SCHEMBL21481527

SCHEMBL21481527

CN(C)C/C=C/C(=O)Nc1cccc2c(-c3ccccc3CNC(=O)OC(C)(C)C)nccc12

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 8/20 0.40
▸ KCNA5 P22460 1/20 0.38
▸ EGFR P00533 5/20 0.36
▸ NAMPT P43490 1/20 0.35
▸ PLCG1 P19174 2/20 0.35
▸ PIP4K2A P48426 1/20 0.35
▸ PIP4K2B P78356 1/20 0.35
▸ CDK7 P50613 1/20 0.34
▸ CCNH P51946 1/20 0.34
▸ ERBB2 P04626 1/20 0.34
▸ CKS1B P61024 1/20 0.34
▸ SKP1 P63208 1/20 0.34
▸ SKP2 Q13309 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ LYN P07948 1/20 0.34

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
SCHEMBL21481524 0.83 BTK (0.45) BTKEGFRPLCG1CDK7CCNH
SCHEMBL21481526 0.78 KCNA5 (0.45) KCNA5NAMPTHDAC1
SCHEMBL21481998 0.69 KCNA5 (0.44) KCNA5NAMPTCKS1BSKP1SKP2
SCHEMBL6761029 0.68 KCNA5 (0.48) KCNA5NAMPTCKS1BSKP1SKP2
SCHEMBL24352757 0.67 KCNA5 (0.55) KCNA5NAMPTCKS1BSKP1SKP2
SCHEMBL21481480 0.67 CDK14 (0.46) BTKEGFRPIP4K2APIP4K2BCDK7
SCHEMBL21481530 0.66 CDK14 (0.50) BTKNAMPTPIP4K2APIP4K2BCDK7
SCHEMBL6182581 0.66 KCNA5 (0.49) KCNA5NAMPTCKS1BSKP1SKP2
SCHEMBL18300396 0.66 KLKB1 (0.46) KCNA5NAMPTHDAC1
SCHEMBL8254926 0.66 KCNA5 (0.61) KCNA5NAMPTHDAC1

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 4 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-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 BTK 528/4885KCNA5 1226/4885EGFR 2944/4885
US-20210139483-A1 PHARMACEUTICALLY ACTIVE PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES IL5, THPO, TYMP BTK 2208/4885KCNA5 1027/4885EGFR 4412/4885

“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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