SCHEMBL2915635

SCHEMBL2915635

COc1ccc(C(=O)Nc2[nH]nc3c2CN(S(=O)(=O)c2ccccc2C)C3)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 2/20 0.48
HTT P42858 1/20 0.48
CCNA2 P20248 2/20 0.43
CDK2 P24941 2/20 0.43
CCNA1 P78396 2/20 0.43
AURKA O14965 1/20 0.43
MMP2 P08253 1/20 0.41
MMP13 P45452 1/20 0.41
RAB9A P51151 4/20 0.41
GAA P10253 1/20 0.41
F10 P00742 1/20 0.40
CNR2 P34972 2/20 0.40
CSNK2A2 P19784 1/20 0.40
CSNK2A1 P68400 1/20 0.40
GPR35 Q9HC97 1/20 0.40
HSP90AA1 P07900 1/20 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
SCHEMBL2917983 0.92 KMT2A (0.41) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL2924102 0.90 CNR1 (0.42) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL2918622 0.90 TP53 (0.42) MAPTHTTCCNA2CDK2CCNA1
SCHEMBL2919538 0.90 SMN1; SMN2 (0.46) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL2920436 0.89 CNR2 (0.41) ALDH1A1KMT2AMAPTHTTCCNA2
SCHEMBL2917095 0.89 TP53 (0.41) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL2918824 0.89 MAPT (0.46) KMT2AMEN1MAPTKDM4EHTT
SCHEMBL2914976 0.89 CNR2 (0.45) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL2920636 0.88 CNR2 (0.47) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL2913564 0.87 L3MBTL1 (0.39) KMT2AMAPTHTTCCNA2CDK2

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 ALDH1A1 4090/4885KMT2A 2789/4885MEN1 3952/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 ALDH1A1 3455/4885KMT2A 3607/4885MEN1 4143/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 ALDH1A1 4090/4885KMT2A 2789/4885MEN1 3952/4885

“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.