SCHEMBL2914393

SCHEMBL2914393

Cc1ccccc1CC(=O)Nc1[nH]nc2c1CN(S(C)(=O)=O)C2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
P2RX7 Q99572 1/20 0.42
NPC1 O15118 1/20 0.41
TTK P33981 1/20 0.40
CACNA1G O43497 1/20 0.40
CACNA1H O95180 1/20 0.40
CACNA1I Q9P0X4 1/20 0.40
MEN1 O00255 1/20 0.39
AKR1B1 P15121 1/20 0.39
MAPK8 P45983 1/20 0.38
TSHR P16473 1/20 0.38
MAPK10 P53779 1/20 0.38
USP2 O75604 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
ANO1 Q5XXA6 1/20 0.36
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL2920116 0.92 KMT2A (0.44) KMT2AL3MBTL1P2RX7NPC1TTK
SCHEMBL2922167 0.89 KMT2A (0.45) KMT2AL3MBTL1P2RX7NPC1TTK
SCHEMBL2920029 0.88 CCNA2 (0.45) KMT2ANPC1MAPK8MAPTALDH1A1
SCHEMBL2920170 0.87 NPY5R (0.48) KMT2AMEN1MAPK8MAPK10ALDH1A1
SCHEMBL2917381 0.86 TSHR (0.52) KMT2AMEN1TSHRMAPK10MAPT
SCHEMBL2920528 0.84 TSHR (0.43) KMT2ANPC1CACNA1GCACNA1HCACNA1I
SCHEMBL2917556 0.84 CCNA2 (0.48) KMT2AL3MBTL1P2RX7NPC1TTK
SCHEMBL2916706 0.83 CCNA2 (0.47) KMT2AL3MBTL1P2RX7NPC1TTK
SCHEMBL2914391 0.82 CDK2 (0.52) KMT2AL3MBTL1P2RX7NPC1TTK
SCHEMBL2918574 0.81 CCNA2 (0.42) KMT2AL3MBTL1NPC1MEN1MAPT

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 KMT2A 2789/4885L3MBTL1 3999/4885P2RX7 1942/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 KMT2A 3607/4885L3MBTL1 3671/4885P2RX7 2172/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 KMT2A 2789/4885L3MBTL1 3999/4885P2RX7 1942/4885

“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.