SCHEMBL5001992

SCHEMBL5001992

CS(=O)(=O)N1CCC(Nc2ncc3c(-c4ccccc4)n[nH]c3n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 18/20 0.51
CCNE1 P24864 16/20 0.51
CDK4 P11802 8/20 0.51
CCND1 P24385 8/20 0.51
CDK1 P06493 7/20 0.51
CDK6 Q00534 6/20 0.51
CCNB1 P14635 5/20 0.51
CCNT1 O60563 4/20 0.51
CDK9 P50750 4/20 0.51
CCNE2 O96020 4/20 0.51
CCNB2 O95067 3/20 0.51
CDK5 Q00535 3/20 0.51
CDK5R1 Q15078 3/20 0.51
CCNB3 Q8WWL7 3/20 0.51
IKBKB O14920 1/20 0.48
CCND3 P30281 2/20 0.48
MAPK14 Q16539 1/20 0.47

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
SCHEMBL5049489 0.91 CDK2 (0.49) CDK2CCNE1CDK4CCND1CDK1
SCHEMBL4997812 0.88 MAPK14 (0.53) CDK2CCNE1CDK4CCND1CDK1
SCHEMBL5001638 0.86 CDK2 (0.55) CDK2CCNE1CDK4CCND1CDK1
SCHEMBL5008008 0.86 CDK2 (0.56) CDK2CCNE1CDK4CCND1CDK1
SCHEMBL29763078 0.80 CDK2 (0.58) CDK2CCNE1CDK4CCND1CDK1
SCHEMBL26919429 0.80 CDK2 (0.58) CDK2CCNE1CDK4CCND1CDK1
SCHEMBL26919061 0.79 CDK2 (0.59) CDK2CCNE1CDK4CCND1CDK1
SCHEMBL30496633 0.79 CDK2 (0.59) CDK2CCNE1CDK4CCND1CDK1
SCHEMBL5001905 0.79 CDK1 (0.58) CDK2CCNE1CDK4CCND1CDK1
SCHEMBL5002093 0.79 CDK2 (0.57) CDK2CCNE1CDK4CCND1CDK1

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-7405220-B2 Pyrazolopyrimidines HOFFMANN-LA ROCHE INC. (US) 2008-07-29 US claimed
EP-1758871-B1 PYRAZOLO PYRIMIDINES HOFFMANN LA ROCHE (CH) 2007-11-14 EP claimed
CN-1964954-B Pyrazolo pyrimidines HOFFMANN LA ROCHE 2010-07-21 CN disclosed
US-7405220-B2 Pyrazolopyrimidines HOFFMANN-LA ROCHE INC. (US) 2008-07-29 US disclosed
US-7405220-B2 Pyrazolopyrimidines HOFFMANN-LA ROCHE INC. (US) 2008-07-29 US disclosed
EP-1758871-B1 PYRAZOLO PYRIMIDINES HOFFMANN LA ROCHE (CH) 2007-11-14 EP disclosed
US-20050277655-A1 e.g. [3-(2-Methoxy-phenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]-phenyl-amine; cyclin-dependent kinase (Cdk1, 2, 4) inhibitor; anticarcinogenic agent; breast, lung, colon and prostate solid tumors DING QINGJIE 2005-12-15 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 (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-20050277655-A1 e.g. [3-(2-Methoxy-phenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]-phenyl-amine; cyclin-dependent kinase (Cdk1, 2, 4) inhibitor; anticarcinogenic agent; breast, lung, colon and prostate solid tumors CDK1, CDK4, CDK2 CDK2 3/4885CCNE1 21/4885CDK4 2/4885

“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.