SCHEMBL21481998

SCHEMBL21481998

CC(C)(C)OC(=O)NCc1ccccc1-c1nccc2cc(N)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 2/20 0.44
▸ NAMPT P43490 1/20 0.42
▸ KDM4A O75164 1/20 0.40
▸ NQO2 P16083 1/20 0.38
▸ GRM2 Q14416 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ MALT1 Q9UDY8 1/20 0.37
▸ NSD2 O96028 1/20 0.36
▸ ALOX5AP P20292 1/20 0.36
▸ FEN1 P39748 1/20 0.36
▸ ACACB O00763 1/20 0.36
▸ ACACA Q13085 1/20 0.36
▸ SCN9A Q15858 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CKS1B P61024 1/20 0.35

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
SCHEMBL21481526 0.82 KCNA5 (0.45) KCNA5NAMPTKDM4ANQO2GRM2
SCHEMBL25470419 0.75 KCNA5 (0.51) KCNA5NAMPTKDM4ANQO2MALT1
SCHEMBL6761029 0.75 KCNA5 (0.48) KCNA5NAMPTKDM4ACYP1A2MALT1
SCHEMBL4243189 0.75 KCNA5 (0.56) KCNA5NAMPTKDM4ANQO2MALT1
SCHEMBL24352757 0.74 KCNA5 (0.55) KCNA5NAMPTKDM4AMALT1ACACB
SCHEMBL21481997 0.74 DPP4 (0.42) SCN9ANPC1RAB9A
SCHEMBL6182581 0.73 KCNA5 (0.49) KCNA5NAMPTKDM4ACYP1A2MALT1
SCHEMBL23762070 0.73 KCNA5 (0.46) KCNA5NAMPTKDM4ANQO2GRM2
SCHEMBL23030420 0.72 KDM4A (0.40) KDM4ANQO2GRM2KLKB1KLK1
SCHEMBL14907972 0.72 KCNA5 (0.53) KCNA5NAMPTKDM4AMALT1ACACB

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 KCNA5 1226/4885NAMPT 1227/4885KDM4A 1311/4885
US-20210139483-A1 PHARMACEUTICALLY ACTIVE PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES IL5, THPO, TYMP KCNA5 1027/4885NAMPT 448/4885KDM4A 3573/4885

“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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