SCHEMBL4245677

SCHEMBL4245677

CCCCN(C(N)=O)N1Cc2[nH]nc(NC(=O)Cc3ccc(N4CCCC4=O)cc3)c2C1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 12/20 0.68
CCNA2 P20248 7/20 0.68
CCNA1 P78396 7/20 0.68
CDK1 P06493 4/20 0.51
AURKA O14965 2/20 0.51
MAPK1 P28482 2/20 0.51
GSK3B P49841 2/20 0.51
CCNB2 O95067 1/20 0.51
CCNE2 O96020 1/20 0.51
CCNB1 P14635 1/20 0.51
CCNE1 P24864 1/20 0.51
CDK5 Q00535 1/20 0.51
CDK5R1 Q15078 1/20 0.51
CCNB3 Q8WWL7 1/20 0.51
MAPK8 P45983 1/20 0.44
MAPK9 P45984 1/20 0.44
MAPK10 P53779 1/20 0.44
CACNA1G O43497 1/20 0.42
CACNA1I Q9P0X4 1/20 0.42
CYP1A2 P05177 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
SCHEMBL2920679 0.82 CDK2 (0.73) CDK2CCNA2CCNA1CDK1AURKA
SCHEMBL2925306 0.80 CDK2 (0.79) CDK2CCNA2CCNA1CDK1AURKA
SCHEMBL2920265 0.80 CDK2 (0.64) CDK2CCNA2CCNA1CDK1AURKA
SCHEMBL2916004 0.80 CDK2 (0.76) CDK2CCNA2CCNA1CDK1AURKA
SCHEMBL2957863 0.78 CDK2 (0.68) CDK2CCNA2CCNA1CDK1AURKA
SCHEMBL2944868 0.77 CDK2 (0.70) CDK2CCNA2CCNA1CDK1AURKA
SCHEMBL2919295 0.76 CDK2 (0.65) CDK2CCNA2CCNA1CDK1AURKA
SCHEMBL2920531 0.76 CDK2 (0.60) CDK2CCNA2CCNA1CDK1AURKA
SCHEMBL4245671 0.74 CYP1A2 (0.43) CDK2CCNA2CCNA1CYP1A2USP2
SCHEMBL4239629 0.74 CDK2 (0.60) CDK2CCNA2CCNA1CDK1AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273765-B2 Bicyclo-pyrazoles and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2012-09-25 US disclosed
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them PFIZER ITALIA S.R.L. (IT) 2009-09-03 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-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 CDK2 70/4885CCNA2 1043/4885CCNA1 1090/4885

“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.