SCHEMBL2914911

SCHEMBL2914911

COc1cc(OC)cc(C(=O)Nc2n[nH]c3c2CN(S(C)(=O)=O)C3)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 11/20 0.55
AURKA O14965 10/20 0.55
CCNA2 P20248 9/20 0.55
CCNA1 P78396 9/20 0.55
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
ALPL P05186 1/20 0.43
IGF1R P08069 1/20 0.42
BRD4 O60885 1/20 0.41
TSHR P16473 1/20 0.41
NTRK1 P04629 4/20 0.40
ABL1 P00519 3/20 0.40
RET P07949 3/20 0.40
FGFR1 P11362 3/20 0.40
AURKB Q96GD4 3/20 0.40
BCR P11274 2/20 0.40
PLK4 O00444 2/20 0.40
JAK2 O60674 2/20 0.40
MAP4K4 O95819 2/20 0.40
LCK P06239 2/20 0.40

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
SCHEMBL2922971 0.91 CCNA2 (0.55) CDK2AURKACCNA2CCNA1ALDH1A1
SCHEMBL2913789 0.90 CCNA2 (0.54) CDK2AURKACCNA2CCNA1ALDH1A1
SCHEMBL2917065 0.89 AURKA (0.70) CDK2AURKACCNA2CCNA1ALDH1A1
SCHEMBL2916869 0.84 CCNA2 (0.53) CDK2AURKACCNA2CCNA1ALDH1A1
SCHEMBL2917986 0.83 AURKA (0.50) CDK2AURKACCNA2CCNA1ALDH1A1
SCHEMBL2918082 0.83 CCNA2 (0.51) CDK2AURKACCNA2CCNA1ALDH1A1
SCHEMBL2921382 0.82 AURKA (0.80) CDK2AURKACCNA2CCNA1ALPL
SCHEMBL2915238 0.82 AURKA (0.67) CDK2AURKACCNA2CCNA1IGF1R
SCHEMBL2920953 0.81 AURKA (0.65) CDK2AURKACCNA2CCNA1ALPL
SCHEMBL2919279 0.81 CCNA2 (0.54) CDK2AURKACCNA2CCNA1ALDH1A1

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 10 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-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
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 (3 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 CDK2 43/4885AURKA 347/4885CCNA2 848/4885
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.