SCHEMBL5720872

SCHEMBL5720872

CC(=O)N1Cc2n[nH]c(C#Cc3ccccc3)c2C1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.46
AURKA O14965 6/20 0.44
CCNA2 P20248 6/20 0.44
CDK2 P24941 6/20 0.44
CCNA1 P78396 6/20 0.44
EP300 Q09472 3/20 0.40
CREBBP Q92793 3/20 0.40
BRD4 O60885 1/20 0.40
NOTUM Q6P988 1/20 0.40
AURKB Q96GD4 1/20 0.37
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
BAZ2B Q9UIF8 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
SCHEMBL2920484 0.80 CCNA2 (0.45) GRM5AURKACCNA2CDK2CCNA1
SCHEMBL5720875 0.77 CCNA2 (0.55) GRM5AURKACCNA2CDK2CCNA1
SCHEMBL5720799 0.76 CCNA2 (0.47) AURKACCNA2CDK2CCNA1EP300
SCHEMBL2921266 0.71 CCNA2 (0.63) AURKACCNA2CDK2CCNA1EP300
SCHEMBL2920481 0.70 CCNA2 (0.68) AURKACCNA2CDK2CCNA1EP300
SCHEMBL2916708 0.69 CCNA2 (0.42) GRM5AURKACCNA2CDK2CCNA1
SCHEMBL2920178 0.69 AURKA (0.47) AURKACCNA2CDK2CCNA1LMNA
SCHEMBL5720830 0.69 BTK (0.47) AURKACCNA2CDK2CCNA1EP300
SCHEMBL2924461 0.69 CCNA2 (0.37) GRM5AURKACCNA2CDK2CCNA1
SCHEMBL2921958 0.68 CCNA2 (0.65) AURKACCNA2CDK2CCNA1EP300

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-20060135508-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2006-06-22 US disclosed
EP-1527074-A1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2005-05-04 EP disclosed
WO-2004013144-A1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA SPA (IT) 2004-02-12 WO 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-20060135508-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K15, MAP3K5, MAP3K19 GRM5 1398/4885AURKA 173/4885CCNA2 915/4885

“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.