SCHEMBL13901372

SCHEMBL13901372

Clc1cc(Cl)n2ncc(C3CCCC3)c2n1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.37
▸ CDK2 P24941 4/20 0.35
▸ GSK3B P49841 2/20 0.35
▸ TDO2 P48775 2/20 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
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ CSNK2B P67870 1/20 0.32
▸ CCNE1 P24864 1/20 0.31
▸ CREBBP Q92793 2/20 0.31
▸ CHEK1 O14757 1/20 0.30
▸ CCNA2 P20248 1/20 0.30
▸ CCNA1 P78396 1/20 0.30
▸ S1PR2 O95136 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
SCHEMBL22413193 0.97 PDE10A (0.37) PDE10ACDK2GSK3BTDO2CYP17A1
SCHEMBL12953633 0.94 PDE10A (0.39) PDE10ACDK2CYP17A1KDM4EALDH1A1
SCHEMBL13901476 0.85 CHEK1 (0.41) CDK2GSK3BTDO2CHEK1CCNA2
SCHEMBL14395160 0.85 TDO2 (0.38) CDK2GSK3BTDO2CYP17A1KDM4E
SCHEMBL13901267 0.79 CAMKK1 (0.44) CDK2KDM4EALDH1A1MAPTRAB9A
SCHEMBL13901280 0.78 CAMKK1 (0.43) CDK2KDM4EALDH1A1MAPTRAB9A
SCHEMBL13901473 0.78 CHEK1 (0.38) CDK2CYP17A1KDM4EALDH1A1MAPT
SCHEMBL26870923 0.74 CCNT1 (0.31) CDK2KDM4EALDH1A1MAPTRAB9A
SCHEMBL12953142 0.73 ALDH1A1 (0.46) CDK2GSK3BKDM4EALDH1A1MAPT
SCHEMBL12953072 0.72 PDE10A (0.46) PDE10ACDK2KDM4EALDH1A1MAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511049-B2 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2009-03-31 — — US disclosed
US-7511049-B2 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2009-03-31 — — US disclosed
US-7309705-B2 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2007-12-18 — — US disclosed
US-7309705-B2 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2007-12-18 — — US disclosed
US-20070275983-A1 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION 2007-11-29 — — US disclosed
US-20070275983-A1 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION 2007-11-29 — — US disclosed
EP-1534710-B1 PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORP (US) 2007-10-24 — — EP 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-20070275983-A1 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS CDK2, CDK1, CDKN1A PDE10A 1590/4885CDK2 1/4885GSK3B 695/4885

“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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