SCHEMBL21481526

SCHEMBL21481526

CC(C)(C)OC(=O)NCc1ccccc1-c1nccc2c(N)cccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 2/20 0.45
▸ HDAC1 Q13547 2/20 0.42
▸ NAMPT P43490 2/20 0.41
▸ HSP90AA1 P07900 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ MALT1 Q9UDY8 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ ADORA2A P29274 2/20 0.38
▸ AKT1 P31749 1/20 0.38
▸ NSD2 O96028 1/20 0.37
▸ KDM4A O75164 1/20 0.37
▸ GRM2 Q14416 1/20 0.37
▸ NQO2 P16083 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL21481998 0.82 KCNA5 (0.44) KCNA5HDAC1NAMPTCYP1A2MALT1
SCHEMBL18300396 0.79 KLKB1 (0.46) KCNA5HDAC1NAMPTCYP1A2HDAC10
SCHEMBL21481527 0.78 BTK (0.40) KCNA5HDAC1NAMPT
SCHEMBL13315241 0.77 KDM4A (0.46) KCNA5HDAC1NAMPTCYP1A2MALT1
SCHEMBL2061998 0.77 KCNA5 (0.54) KCNA5HDAC1NAMPTMALT1HDAC10
SCHEMBL6761029 0.76 KCNA5 (0.48) KCNA5NAMPTCYP1A2MALT1AKT1
SCHEMBL24352757 0.76 KCNA5 (0.55) KCNA5HDAC1NAMPTMALT1HDAC10
SCHEMBL6182581 0.74 KCNA5 (0.49) KCNA5NAMPTCYP1A2MALT1HDAC10
SCHEMBL8254926 0.74 KCNA5 (0.61) KCNA5HDAC1NAMPTCYP1A2MALT1
SCHEMBL14907972 0.74 KCNA5 (0.53) KCNA5NAMPTMALT1HDAC10HDAC6

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 1226/4885HDAC1 203/4885NAMPT 1227/4885
US-20210139483-A1 PHARMACEUTICALLY ACTIVE PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES IL5, THPO, TYMP KCNA5 1027/4885HDAC1 889/4885NAMPT 448/4885

“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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