SCHEMBL21481524

SCHEMBL21481524

CN(C)C/C=C/C(=O)Nc1cccc2c(-c3ccccc3CN)nccc12

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 8/20 0.45
▸ CDK7 P50613 3/20 0.38
▸ CCNH P51946 3/20 0.38
▸ PLCG1 P19174 2/20 0.38
▸ MNAT1 P51948 1/20 0.38
▸ EGFR P00533 7/20 0.38
▸ ITK Q08881 4/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ ERBB2 P04626 2/20 0.36
▸ CDK14 O94921 1/20 0.36
▸ CCNY Q8ND76 1/20 0.36
▸ LYN P07948 1/20 0.36

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
SCHEMBL21481527 0.83 BTK (0.40) BTKCDK7CCNHPLCG1EGFR
SCHEMBL15938439 0.69 HDAC3 (0.55) BTK
SCHEMBL15938442 0.69 HDAC3 (0.55) BTK
SCHEMBL20206274 0.68 MMP1 (0.57) BTKEGFRITKJAK3LYN
SCHEMBL16653925 0.67 KDM4E (0.61) BTK
SCHEMBL16653927 0.67 KDM4E (0.61) BTK
SCHEMBL17931890 0.66 BTK (0.53) BTKEGFRITKJAK3LYN
SCHEMBL27462537 0.65 BTK (0.48) BTKEGFRITKJAK3CDK14
SCHEMBL21484259 0.63 NPC1 (0.49) —
SCHEMBL13389249 0.63 EGFR (0.55) BTKCDK7CCNHMNAT1EGFR

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 528/4885CDK7 10/4885CCNH 56/4885
US-20210139483-A1 PHARMACEUTICALLY ACTIVE PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES IL5, THPO, TYMP BTK 2208/4885CDK7 159/4885CCNH 1109/4885

“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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