SCHEMBL5024501

SCHEMBL5024501

CCS(=O)(=O)N1CCC(Nc2ncc3cn[nH]c3n2)CC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 18/20 0.56
CCNE1 P24864 17/20 0.56
CCND1 P24385 16/20 0.56
CDK6 Q00534 15/20 0.56
CCNE2 O96020 1/20 0.53
CDK4 P11802 7/20 0.48
CDK1 P06493 1/20 0.48
MAPK1 P28482 1/20 0.48
CCNT1 O60563 6/20 0.47
CDK9 P50750 6/20 0.47
JAK1 P23458 1/20 0.44

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
SCHEMBL5002277 0.89 CCNE1 (0.56) CDK2CCNE1CCND1CDK6CCNE2
SCHEMBL19868160 0.81 CDK2 (0.60) CDK2CCNE1CCND1CDK6CCNE2
SCHEMBL19868152 0.79 CCNE1 (0.56) CDK2CCNE1CCND1CDK6CCNE2
SCHEMBL5049489 0.77 CDK2 (0.49) CDK2CCNE1CCND1CDK6CCNE2
SCHEMBL5412716 0.75 ROCK2 (0.62)
SCHEMBL22901104 0.74 CDK2 (0.50) CDK2CCNE1CCND1CDK6CCNE2
SCHEMBL14391661 0.73 MAPK8 (0.57) CDK2
SCHEMBL19863598 0.72 CCNE1 (1.00) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL19868282 0.72 CDK2 (0.54) CDK2CCNE1CCND1CDK6CCNE2
SCHEMBL5031712 0.72 CDK2 (0.56) CDK2CCNE1CCND1CDK6CCNE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 21/4885CCND1 42/4885

“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.