SCHEMBL2921595

SCHEMBL2921595

COc1ccc(C(=O)Nc2n[nH]c3c2CN(Cc2ccccc2)C3)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 8/20 0.53
CDK2 P24941 7/20 0.53
NTRK1 P04629 4/20 0.53
CDC7 O00311 1/20 0.53
PLK4 O00444 1/20 0.53
CHEK1 O14757 1/20 0.53
DCLK1 O15075 1/20 0.53
MAPK13 O15264 1/20 0.53
PDPK1 O15530 1/20 0.53
DAPK3 O43293 1/20 0.53
DYRK3 O43781 1/20 0.53
JAK2 O60674 1/20 0.53
ROCK2 O75116 1/20 0.53
PRKD3 O94806 1/20 0.53
MAP4K4 O95819 1/20 0.53
PAK4 O96013 1/20 0.53
CHEK2 O96017 1/20 0.53
PRKCG P05129 1/20 0.53
INSR P06213 1/20 0.53
LCK P06239 1/20 0.53

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
SCHEMBL2917893 0.91 ABCG2 (0.50) AURKACDK2NTRK1CDC7PLK4
SCHEMBL2924398 0.87 AURKA (0.65) AURKACDK2NTRK1PLK4JAK2
SCHEMBL2916400 0.87 NTRK1 (0.60) AURKACDK2NTRK1CDC7DAPK3
SCHEMBL2919137 0.87 CDK2 (0.53) AURKACDK2NTRK1CDC7DAPK3
SCHEMBL2923271 0.85 AURKA (0.48) AURKACDK2NTRK1MAPK1CCNA2
SCHEMBL2917481 0.85 MAPT (0.55) AURKACDK2NTRK1CDC7MAP4K4
SCHEMBL2923589 0.85 NTRK1 (0.48) AURKACDK2NTRK1CDC7MAP4K4
SCHEMBL2922384 0.85 AURKA (0.64) AURKACDK2NTRK1CCNA2CCNA1
SCHEMBL2917345 0.84 NTRK1 (0.54) AURKACDK2NTRK1CCNA2CCNA1
SCHEMBL2920079 0.84 AURKA (0.61) AURKACDK2NTRK1AURKBCCNA2

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 43/4885NTRK1 2610/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 AURKA 600/4885CDK2 70/4885NTRK1 4175/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 AURKA 347/4885CDK2 43/4885NTRK1 2610/4885

“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.