SCHEMBL2920217

SCHEMBL2920217

COc1cccc(C(=O)Nc2[nH]nc3c2CN(S(=O)(=O)c2cccc4cccnc24)CC3)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 3/20 0.48
LMNA P02545 4/20 0.47
ALDH1A1 P00352 3/20 0.47
ALOX15 P16050 2/20 0.47
HSD17B10 Q99714 1/20 0.47
GAA P10253 2/20 0.47
MAPK1 P28482 5/20 0.46
HTT P42858 1/20 0.46
HSP90AA1 P07900 1/20 0.45
CNR2 P34972 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL2921896 0.89 FABP1 (0.47) SMN1; SMN2MAPTALDH1A1ALOX15HSD17B10
SCHEMBL2922875 0.88 TP53 (0.48) SMN1; SMN2MAPTHSD17B10GAAMAPK1
SCHEMBL2923171 0.87 FABP1 (0.45) POLBSMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL2924279 0.86 GAA (0.45) POLBSMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL2920451 0.85 MAPT (0.49) SMN1; SMN2MAPTHSD17B10GAAMAPK1
SCHEMBL2925469 0.84 GAA (0.47) SMN1; SMN2LMNAALDH1A1ALOX15HSD17B10
SCHEMBL2915955 0.83 MAPT (0.52) SMN1; SMN2MAPTALDH1A1GAAL3MBTL1
SCHEMBL4236801 0.83 NPC1 (0.47) SMN1; SMN2MAPTLMNAALDH1A1GAA
SCHEMBL2924666 0.81 MAPK1 (0.55) SMN1; SMN2MAPTLMNAALDH1A1ALOX15
SCHEMBL2919283 0.80 GAA (0.46) POLBSMN1; SMN2MAPTLMNAALDH1A1

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 POLB 1334/4885SMN1; SMN2 3514/4885MAPT 1172/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 POLB 2264/4885SMN1; SMN2 2568/4885MAPT 1104/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 POLB 1334/4885SMN1; SMN2 3514/4885MAPT 1172/4885

“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.