SCHEMBL21481480

SCHEMBL21481480

CN(C)C/C=C/C(=O)Nc1cccc(Oc2cccc(CNC(=O)OC(C)(C)C)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CDK14 O94921 2/20 0.46
▸ CCNY Q8ND76 2/20 0.46
▸ ACKR3 P25106 1/20 0.46
▸ BTK Q06187 4/20 0.43
▸ EGFR P00533 8/20 0.43
▸ PIP4K2A P48426 1/20 0.41
▸ PIP4K2B P78356 1/20 0.41
▸ ITK Q08881 4/20 0.40
▸ BRD4 O60885 2/20 0.40
▸ JAK3 P52333 2/20 0.40
▸ ERBB2 P04626 2/20 0.40
▸ CDK7 P50613 1/20 0.39
▸ CCNH P51946 1/20 0.39
▸ MNAT1 P51948 1/20 0.39
▸ AURKA O14965 1/20 0.39
▸ RPS6KB1 P23443 1/20 0.39
▸ ERBB4 Q15303 1/20 0.39

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
SCHEMBL21481530 0.86 CDK14 (0.50) CDK14CCNYACKR3BTKPIP4K2A
SCHEMBL21481478 0.84 EGFR (0.51) BTKEGFRITKBRD4JAK3
SCHEMBL21481476 0.82 ACKR3 (0.47) CDK14CCNYACKR3BTKEGFR
SCHEMBL23352056 0.82 BRD4 (0.46) BRD4
SCHEMBL28421375 0.76 CDK14 (0.57) CDK14CCNYBTKPIP4K2APIP4K2B
SCHEMBL21282758 0.76 CDK14 (0.57) CDK14CCNYBTKPIP4K2APIP4K2B
SCHEMBL27812229 0.75 MAPK14 (0.49) —
SCHEMBL29289884 0.74 BRD4 (0.53) BRD4AURKARPS6KB1
SCHEMBL21481482 0.74 GLS (0.46) BRD4
SCHEMBL12908113 0.74 MMP13 (0.46) BRD4

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 CDK14 26/4885CCNY 46/4885ACKR3 2216/4885
US-20210139483-A1 PHARMACEUTICALLY ACTIVE PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES IL5, THPO, TYMP CDK14 577/4885CCNY 597/4885ACKR3 837/4885

“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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