SCHEMBL23382145

SCHEMBL23382145

CC(C)c1cnn2c(Cl)nc(N3CCC(NC(=O)OCc4ccccc4)CC3)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSK P43235 1/20 0.43
DPP4 P27487 5/20 0.42
DPP7 Q9UHL4 5/20 0.42
KCNH2 Q12809 4/20 0.42
TSHR P16473 1/20 0.42
CDK2 P24941 1/20 0.42
CDK9 P50750 1/20 0.42
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
SMPD3 Q9NY59 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
EPHX1 P07099 1/20 0.40
SYK P43405 1/20 0.40

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
SCHEMBL23352075 0.93 CNR1 (0.43) CNR1CNR2ALDH1A1GAACTSL
SCHEMBL21484083 0.79 CDK2 (0.42) CNR1CNR2CDK2CDK9SMPD3
SCHEMBL13402357 0.72 ALDH1A1 (0.67) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL26696940 0.70 CDK2 (0.56) CDK2CDK9
SCHEMBL21481492 0.70 PTPN11 (0.38) CDK2CDK9
SCHEMBL21946103 0.69 CCNT1 (0.58) ALDH1A1GAADPP4DPP7KCNH2
SCHEMBL5122686 0.69 TGM2 (0.67) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL6190799 0.68 ALDH1A1 (0.58) CNR1CNR2ALDH1A1GAACTSL
SCHEMBL30981367 0.68 ALDH1A1 (0.58) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL2520628 0.68 TSHR (0.48) ALDH1A1GAACTSLCTSBCTSK

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 2 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-20210147427-A1 PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES AS SELECTIVE INHIBITOR OF CYCLIN DEPENDENT KINASE LEAD DISCOVERY CENTER GMBH (DE) 2021-05-20 US 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 CNR1 1347/4885CNR2 2280/4885ALDH1A1 916/4885
US-20210147427-A1 PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES AS SELECTIVE INHIBITOR OF CYCLIN DEPENDENT KINASE CDK1, CDK2, CDK15 CNR1 1688/4885CNR2 2115/4885ALDH1A1 1986/4885

“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.