SCHEMBL5049489

SCHEMBL5049489

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 13/20 0.49
CCND1 P24385 7/20 0.49
CDK1 P06493 3/20 0.49
CDK4 P11802 3/20 0.49
CCNE1 P24864 12/20 0.48
CDK6 Q00534 6/20 0.48
CCNE2 O96020 3/20 0.46
MAPK1 P28482 1/20 0.44
CSNK2A2 P19784 1/20 0.43
CSNK2B P67870 1/20 0.43
JAK1 P23458 1/20 0.42
MERTK Q12866 3/20 0.42
CCNT1 O60563 3/20 0.41
CDK9 P50750 3/20 0.41
CCNB2 O95067 2/20 0.41
CCNB1 P14635 2/20 0.41
CDK5 Q00535 2/20 0.41
CDK5R1 Q15078 2/20 0.41
CCNB3 Q8WWL7 2/20 0.41
IKBKB O14920 1/20 0.41

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
SCHEMBL5001992 0.91 CDK2 (0.51) CDK2CCND1CDK1CDK4CCNE1
SCHEMBL5031712 0.86 CDK2 (0.56) CDK2CCND1CDK1CDK4CCNE1
SCHEMBL4997812 0.80 MAPK14 (0.53) CDK2CCND1CDK1CDK4CCNE1
SCHEMBL5001638 0.77 CDK2 (0.55) CDK2CCND1CDK1CDK4CCNE1
SCHEMBL5008008 0.77 CDK2 (0.56) CDK2CCND1CDK1CDK4CCNE1
SCHEMBL5024501 0.77 CDK2 (0.56) CDK2CCND1CDK1CDK4CCNE1
SCHEMBL14136100 0.73 DYRK1A (0.47) CDK2CCND1CDK1CDK4CDK6
SCHEMBL19868160 0.73 CDK2 (0.60) CDK2CCND1CDK1CDK4CCNE1
SCHEMBL4998381 0.72 CDK2 (0.52) CDK2CCND1CDK1CDK4
SCHEMBL22228816 0.71 CDK9 (0.58) CDK2CCND1CDK1CDK4CCNE1

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 3/4885CCND1 42/4885CDK1 1/4885

“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.