SCHEMBL21481530

SCHEMBL21481530

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK14 O94921 6/20 0.50
▸ CCNY Q8ND76 6/20 0.50
▸ IRAK1 P51617 2/20 0.49
▸ MAPK8 P45983 1/20 0.47
▸ MAPK9 P45984 1/20 0.47
▸ MAPK10 P53779 1/20 0.47
▸ ACKR3 P25106 1/20 0.47
▸ CDK7 P50613 3/20 0.46
▸ CDK2 P24941 2/20 0.46
▸ CDK9 P50750 2/20 0.46
▸ BTK Q06187 1/20 0.46
▸ NAMPT P43490 1/20 0.46
▸ CCNH P51946 2/20 0.46
▸ MNAT1 P51948 2/20 0.46
▸ PIP4K2A P48426 4/20 0.46
▸ PIP4K2B P78356 4/20 0.46
▸ ROCK2 O75116 1/20 0.45
▸ SENP2 Q9HC62 1/20 0.45
▸ SENP1 Q9P0U3 1/20 0.45
▸ CDK1 P06493 1/20 0.44

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
SCHEMBL28421375 0.89 CDK14 (0.57) CDK14CCNYIRAK1MAPK8MAPK9
SCHEMBL21282758 0.89 CDK14 (0.57) CDK14CCNYIRAK1MAPK8MAPK9
SCHEMBL21481480 0.86 CDK14 (0.46) CDK14CCNYACKR3CDK7BTK
SCHEMBL21481529 0.81 IRAK1 (0.55) CDK14CCNYIRAK1MAPK8MAPK9
SCHEMBL23352053 0.79 SENP1 (0.54) NAMPTROCK2SENP2SENP1
SCHEMBL28421495 0.78 HDAC3 (0.53) CDK14CCNYIRAK1NAMPT
SCHEMBL21282754 0.78 HDAC3 (0.53) CDK14CCNYIRAK1NAMPT
SCHEMBL306547 0.77 ROCK2 (0.66) NAMPTROCK2
SCHEMBL21282715 0.77 IRAK1 (0.57) CDK14CCNYIRAK1MAPK8MAPK9
SCHEMBL28421380 0.77 IRAK1 (0.57) CDK14CCNYIRAK1MAPK8MAPK9

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 46/4885IRAK1 164/4885
US-20210139483-A1 PHARMACEUTICALLY ACTIVE PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES IL5, THPO, TYMP CDK14 577/4885CCNY 597/4885IRAK1 276/4885

“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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