SCHEMBL2916396

SCHEMBL2916396

COc1cccc(C(=O)Nc2[nH]nc3c2CN(Cc2ccccc2)C3)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.57
MAPT P10636 2/20 0.57
LMNA P02545 1/20 0.57
NTRK1 P04629 1/20 0.51
CDK2 P24941 2/20 0.48
CDC7 O00311 1/20 0.48
DAPK3 O43293 1/20 0.48
JAK2 O60674 1/20 0.48
ROCK2 O75116 1/20 0.48
MAP4K4 O95819 1/20 0.48
PAK4 O96013 1/20 0.48
PRKACA P17612 1/20 0.48
FLT3 P36888 1/20 0.48
CSNK1A1 P48729 1/20 0.48
CLK2 P49760 1/20 0.48
GSK3A P49840 1/20 0.48
CDK7 P50613 1/20 0.48
CDK9 P50750 1/20 0.48
PRKX P51817 1/20 0.48
CDK5 Q00535 1/20 0.48

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
SCHEMBL2919134 0.92 MCHR1 (0.52) SMN1; SMN2MAPTLMNANTRK1CDK2
SCHEMBL2918899 0.91 SMN1; SMN2 (0.49) SMN1; SMN2MAPTLMNANTRK1CDK2
SCHEMBL2924395 0.89 MAPT (0.55) SMN1; SMN2MAPTNTRK1CDK2KDM4E
SCHEMBL2918752 0.87 RAB9A (0.52) SMN1; SMN2MAPTLMNANTRK1KDM4E
SCHEMBL2922382 0.87 NTRK1 (0.49) SMN1; SMN2MAPTNTRK1FLT3KDM4E
SCHEMBL2921593 0.87 ALDH1A1 (0.50) SMN1; SMN2MAPTLMNANTRK1CDK2
SCHEMBL2921853 0.86 NTRK1 (0.49) SMN1; SMN2MAPTNTRK1CDK2CDC7
SCHEMBL2922461 0.85 NPC1 (0.51) SMN1; SMN2NTRK1CDK2CDC7DAPK3
SCHEMBL2923587 0.85 ALDH1A1 (0.49) SMN1; SMN2MAPTKDM4ETSHRMEN1
SCHEMBL2914993 0.85 NTRK1 (0.51) NTRK1CDK2CDC7DAPK3ROCK2

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 SMN1; SMN2 3514/4885MAPT 1172/4885LMNA 2208/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 SMN1; SMN2 2568/4885MAPT 1104/4885LMNA 3028/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 SMN1; SMN2 3514/4885MAPT 1172/4885LMNA 2208/4885

“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.