SCHEMBL4020701

SCHEMBL4020701

CC(=O)N1Cc2n[nH]c(NC(=O)c3ccccc3C#N)c2C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 8/20 0.44
CDK2 P24941 8/20 0.44
CCNA1 P78396 8/20 0.44
AURKA O14965 6/20 0.44
OPRK1 P41145 1/20 0.38
LRRK2 Q5S007 2/20 0.37
PPIA P62937 1/20 0.36
EP300 Q09472 2/20 0.36
CREBBP Q92793 2/20 0.36
BRD4 O60885 1/20 0.36
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
EPHB3 P54753 1/20 0.35
GAA P10253 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
TLK2 Q86UE8 1/20 0.34
NOTUM Q6P988 1/20 0.34

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
SCHEMBL4019869 0.89 CCNA2 (0.41) CCNA2CDK2CCNA1AURKAOPRK1
SCHEMBL4017921 0.88 OPRK1 (0.38) CCNA2CDK2CCNA1AURKAOPRK1
SCHEMBL2915158 0.86 CCNA2 (0.46) CCNA2CDK2CCNA1AURKAEP300
SCHEMBL2915512 0.85 CCNA2 (0.46) CCNA2CDK2CCNA1AURKAEP300
SCHEMBL2920073 0.85 CCNA2 (0.46) CCNA2CDK2CCNA1AURKAEP300
SCHEMBL2918778 0.84 NPC1 (0.47) CCNA2CDK2CCNA1AURKAEP300
SCHEMBL2920179 0.84 CCNA2 (0.45) CCNA2CDK2CCNA1AURKAPOLB
SCHEMBL2913220 0.83 AURKA (0.43) CCNA2CDK2CCNA1AURKAPOLB
SCHEMBL2918879 0.83 MAPT (0.49) CCNA2CDK2CCNA1AURKALMNA
SCHEMBL2921266 0.82 CCNA2 (0.63) CCNA2CDK2CCNA1AURKAEP300

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-7531531-B2 Method of treating diseases associated with altered kinase activity with bicyclo-pyrazoles PFIZER ITALIA S.R.L. (IT) 2009-05-12 US disclosed
US-20070191386-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2007-08-16 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-20070191386-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 CCNA2 848/4885CDK2 43/4885CCNA1 793/4885

“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.