SCHEMBL22413193

SCHEMBL22413193

Clc1cc(Cl)n2ncc(C3CCC3)c2n1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.37
▸ CDK2 P24941 3/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ CYP17A1 P05093 4/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CSNK2B P67870 1/20 0.32
▸ CHEK1 O14757 1/20 0.30
▸ CCNA2 P20248 1/20 0.30
▸ CCNA1 P78396 1/20 0.30
▸ TDO2 P48775 1/20 0.30
▸ PLAT P00750 1/20 0.30

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
SCHEMBL13901372 0.97 PDE10A (0.37) PDE10ACDK2GSK3BCYP17A1KDM4E
SCHEMBL12953633 0.94 PDE10A (0.39) PDE10ACDK2CYP17A1KDM4EALDH1A1
SCHEMBL13901476 0.82 CHEK1 (0.41) CDK2GSK3BCHEK1CCNA2CCNA1
SCHEMBL14395160 0.82 TDO2 (0.38) CDK2GSK3BCYP17A1KDM4EALDH1A1
SCHEMBL13901473 0.78 CHEK1 (0.38) CDK2CYP17A1KDM4EALDH1A1MAPT
SCHEMBL13901267 0.76 CAMKK1 (0.44) CDK2KDM4EALDH1A1MAPTRAB9A
SCHEMBL13901280 0.76 CAMKK1 (0.43) CDK2KDM4EALDH1A1MAPTRAB9A
SCHEMBL26870923 0.74 CCNT1 (0.31) CDK2KDM4EALDH1A1MAPTRAB9A
SCHEMBL12953142 0.73 ALDH1A1 (0.46) CDK2GSK3BKDM4EALDH1A1MAPT
SCHEMBL22413133 0.72 CDK2 (0.41) CDK2GSK3BCHEK1

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-20220144841-A1 TRISUBSTITUTED PYRAZOLO [1,5-A] PYRIMIDINE COMPOUNDS AS CDK7 INHIBITORS THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE 2022-05-12 — — US disclosed
US-20220144841-A1 TRISUBSTITUTED PYRAZOLO [1,5-A] PYRIMIDINE COMPOUNDS AS CDK7 INHIBITORS THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE 2022-05-12 — — US disclosed
WO-2020186196-A1 TRISUBSTITUTED PYRAZOLO [1,5-A] PYRIMIDINE COMPOUNDS AS CDK7 INHIBITORS THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2020-09-17 — — WO disclosed
WO-2020186196-A1 TRISUBSTITUTED PYRAZOLO [1,5-A] PYRIMIDINE COMPOUNDS AS CDK7 INHIBITORS THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2020-09-17 — — 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 (1 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-20220144841-A1 TRISUBSTITUTED PYRAZOLO [1,5-A] PYRIMIDINE COMPOUNDS AS CDK7 INHIBITORS CDK7, CDK8, CDK3 PDE10A 2074/4885CDK2 9/4885GSK3B 383/4885

“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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