SCHEMBL4565651

SCHEMBL4565651

CCC(CC)CNc1n[nH]c2c1CN(N(C(N)=O)C1CCCCC1)C2

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCNA1 P78396 1/20 0.31
CRHR1 P34998 1/20 0.30

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
SCHEMBL12393367 0.84 CCNA2 (0.34) CCNA2CDK2CCNA1
SCHEMBL4565648 0.82
SCHEMBL3243655 0.73 EPHX1 (0.38)
SCHEMBL12393369 0.71 CCNA2 (0.32) CCNA2CDK2
SCHEMBL2606340 0.59 ALOX5 (0.41)
SCHEMBL2606357 0.59 ALOX5 (0.41)
SCHEMBL2924350 0.57 EPHX1 (0.39) CCNA2CDK2CCNA1
SCHEMBL2915971 0.56 CCNA2 (0.47) CCNA2CDK2CCNA1
SCHEMBL2606475 0.55 ALOX5 (0.37)
SCHEMBL2914606 0.53 CCNA2 (0.42) CCNA2CDK2CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CCNA2 1043/4885CDK2 70/4885CCNA1 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.