SCHEMBL2925406

SCHEMBL2925406

CC(C)NC(=O)NN1Cc2[nH]nc(NC(=O)Cc3ccc(N4CCCC4)cc3)c2C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 10/20 0.62
AURKA O14965 7/20 0.62
CCNA2 P20248 6/20 0.62
CCNA1 P78396 6/20 0.62
CDK1 P06493 5/20 0.62
MAPK1 P28482 2/20 0.62
GSK3B P49841 2/20 0.62
CCNB2 O95067 1/20 0.62
CCNE2 O96020 1/20 0.62
CCNB1 P14635 1/20 0.62
CCNE1 P24864 1/20 0.62
CDK5 Q00535 1/20 0.62
CDK5R1 Q15078 1/20 0.62
CCNB3 Q8WWL7 1/20 0.62
CDK4 P11802 3/20 0.47
GSK3A P49840 1/20 0.44
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NR4A1 P22736 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
SCHEMBL2924951 0.91 AURKA (0.57) CDK2AURKACCNA2CCNA1CDK1
SCHEMBL2916755 0.90 CDK2 (0.66) CDK2AURKACCNA2CCNA1CDK1
SCHEMBL2919295 0.87 CDK2 (0.65) CDK2AURKACCNA2CCNA1CDK1
SCHEMBL2922937 0.87 CDK2 (0.77) CDK2AURKACCNA2CCNA1CDK1
SCHEMBL2920399 0.84 CDK2 (0.56) CDK2AURKACCNA2CCNA1CDK1
SCHEMBL2916936 0.83 CDK2 (0.56) CDK2AURKACCNA2CCNA1CDK1
SCHEMBL2922197 0.81 CDK2 (0.54) CDK2AURKACCNA2CCNA1CDK1
SCHEMBL2918482 0.81 CDK2 (0.74) CDK2AURKACCNA2CCNA1CDK1
SCHEMBL2918137 0.79 CDK2 (0.59) CDK2AURKACCNA2CCNA1CDK1
SCHEMBL2924803 0.77 CDK2 (0.61) CDK2AURKACCNA2CCNA1CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1320531-B1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PFIZER ITALIA SRL (IT) 2010-09-08 EP claimed
US-7541354-B2 Bicyclo-pyrazoles PFIZER ITALIA S.R.L. (IT) 2009-06-02 US claimed
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them NERVIANO MEDICAL SCIENCES S.R.L (IT) 2003-09-11 US claimed
US-8273765-B2 Bicyclo-pyrazoles and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2012-09-25 US disclosed
EP-1320531-B1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PFIZER ITALIA SRL (IT) 2010-09-08 EP disclosed
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them PFIZER ITALIA S.R.L. (IT) 2009-09-03 US disclosed
US-7541354-B2 Bicyclo-pyrazoles PFIZER ITALIA S.R.L. (IT) 2009-06-02 US disclosed
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them NERVIANO MEDICAL SCIENCES S.R.L (IT) 2003-09-11 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 (2 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 70/4885AURKA 600/4885CCNA2 1043/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 CDK2 43/4885AURKA 347/4885CCNA2 848/4885

“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.