SCHEMBL2913668

SCHEMBL2913668

O=C(Nc1n[nH]c2c1CN(C(=O)Cc1ccc(OCC(=O)N3CCCC3)cc1)C2)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 13/20 0.62
CDK2 P24941 9/20 0.51
CCNA2 P20248 8/20 0.51
CCNA1 P78396 8/20 0.51
ABL1 P00519 3/20 0.48
BCR P11274 3/20 0.48
PLK1 P53350 2/20 0.48
USP2 O75604 1/20 0.48
GAA P10253 1/20 0.48
GPR183 P32249 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NTRK1 P04629 2/20 0.44
RET P07949 2/20 0.44
FGFR1 P11362 2/20 0.44
AURKB Q96GD4 2/20 0.44
PLK4 O00444 1/20 0.44
EPHB6 O15197 1/20 0.44
JAK2 O60674 1/20 0.44
STK16 O75716 1/20 0.44

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
SCHEMBL2920122 0.90 AURKA (0.64) AURKACDK2CCNA2CCNA1ABL1
SCHEMBL2921486 0.90 AURKA (0.60) AURKACDK2CCNA2CCNA1ABL1
SCHEMBL2926577 0.89 AURKA (0.73) AURKACDK2CCNA2CCNA1ABL1
SCHEMBL2916672 0.89 AURKA (0.72) AURKACDK2CCNA2CCNA1ABL1
SCHEMBL2913665 0.85 USP2 (0.48) AURKAUSP2GAAGPR183MEN1
SCHEMBL2922415 0.83 AURKA (0.64) AURKACDK2CCNA2CCNA1ABL1
SCHEMBL2917977 0.83 AURKA (0.61) AURKACDK2CCNA2CCNA1ABL1
SCHEMBL2923795 0.81 AURKA (0.57) AURKACDK2CCNA2CCNA1ABL1
SCHEMBL2915285 0.81 AURKA (0.58) AURKACDK2CCNA2CCNA1ABL1
SCHEMBL2917872 0.80 AURKA (0.75) AURKACDK2CCNA2CCNA1ABL1

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 AURKA 347/4885CDK2 43/4885CCNA2 848/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 AURKA 600/4885CDK2 70/4885CCNA2 1043/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 AURKA 347/4885CDK2 43/4885CCNA2 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.