SCHEMBL5050255

SCHEMBL5050255

CCN1CCC(Nc2ncc3c(C)n[nH]c3n2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.44
CCNA2 P20248 5/20 0.44
CCNA1 P78396 4/20 0.44
MAPK11 Q15759 1/20 0.39
MAPK15 Q8TD08 1/20 0.39
JAK1 P23458 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
CCND1 P24385 5/20 0.38
CDK4 P11802 5/20 0.38
CDK1 P06493 4/20 0.38
CCNB1 P14635 3/20 0.38
LRRK2 Q5S007 1/20 0.38
NSD2 O96028 1/20 0.38
TDO2 P48775 1/20 0.37
CCND3 P30281 4/20 0.37
CCND2 P30279 1/20 0.37
CDK6 Q00534 4/20 0.36

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
SCHEMBL5001985 0.86 CDK2 (0.50) CDK2CCNA2CCNA1CCND1CDK4
SCHEMBL24121993 0.81 MAPK14 (0.48) CDK2CCNA2CCNA1MAPK11MAPK15
SCHEMBL5049489 0.69 CDK2 (0.49) CDK2JAK1CCND1CDK4CDK1
SCHEMBL16799595 0.68 MAPK8 (0.65) CDK2CCNA2CCNA1KDM4ECCND1
SCHEMBL12599594 0.67 FGFR1 (0.44) CDK2CCNA2CCNA1ALDH1A1CCND1
SCHEMBL13739780 0.67 CCNA2 (0.59) CDK2CCNA2CCNA1JAK1MAPK8
SCHEMBL12599592 0.67 FGFR1 (0.43) CDK2CCNA2CCNA1JAK1ALDH1A1
SCHEMBL27026840 0.66 CDK2 (0.42) CDK2CCNA2CCNA1KDM4ECCND1
SCHEMBL5001992 0.65 CDK2 (0.51) CDK2CCND1CDK4CDK1CCNB1
SCHEMBL27026848 0.65 CDK2 (0.42) CDK2CCNA2CCNA1JAK1CCND1

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 3/4885CCNA2 24/4885CCNA1 26/4885

“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.