SCHEMBL2919133

SCHEMBL2919133

CC(=O)Nc1ccc(C(=O)Nc2n[nH]c3c2CN(Cc2ccccc2)C3)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AURKA O14965 9/20 0.58
CCNA2 P20248 8/20 0.58
CDK2 P24941 8/20 0.58
CCNA1 P78396 8/20 0.58
NTRK1 P04629 3/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
HIF1A Q16665 1/20 0.47
EPAS1 Q99814 1/20 0.47
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
BTK Q06187 1/20 0.46
BRS3 P32247 1/20 0.46
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL2920079 0.91 AURKA (0.61) AURKACCNA2CDK2CCNA1NTRK1
SCHEMBL2920905 0.90 AURKA (0.56) AURKACCNA2CDK2CCNA1NTRK1
SCHEMBL2922384 0.90 AURKA (0.64) AURKACCNA2CDK2CCNA1NTRK1
SCHEMBL2923431 0.89 AURKA (0.63) AURKACCNA2CDK2CCNA1NTRK1
SCHEMBL2918058 0.88 CCNA2 (0.58) AURKACCNA2CDK2CCNA1NTRK1
SCHEMBL2922881 0.88 AURKA (0.56) AURKACCNA2CDK2CCNA1NTRK1
SCHEMBL2919842 0.88 AURKA (0.56) AURKACCNA2CDK2CCNA1NTRK1
SCHEMBL2917763 0.87 CDK2 (0.62) AURKACCNA2CDK2CCNA1NTRK1
SCHEMBL2924398 0.86 AURKA (0.65) AURKACCNA2CDK2CCNA1NTRK1
SCHEMBL2919919 0.85 CCNA2 (0.56) AURKACCNA2CDK2CCNA1NTRK1

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 17 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-20140378423-A1 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOL COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2014-12-25 US disclosed
US-8859778-B2 1-phenyl-2-pyridinyl alkyl alcohol compounds as phosphodiesterase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2014-10-14 US disclosed
US-20140179647-A1 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOL COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2014-06-26 US disclosed
US-8648204-B2 1-phenyl-2-pyridinyl alkyl alcohol compounds as phosphodiesterase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2014-02-11 US disclosed
US-20130289010-A1 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOL COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMA SPA (IT) 2013-10-31 US disclosed
US-20130012487-A1 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOL COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2013-01-10 US disclosed
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
EP-2216327-A1 Benzoic acid (1-phenyl-2-pyridin-4-yl)ethyl esters as phosphodiesterase inhibitors CHIESI FARMACEUTICI S.p.A. (IT) 2010-08-11 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 (7 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-20130289010-A1 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOL COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE4B, PDE3A AURKA 4100/4885CCNA2 4108/4885CDK2 2394/4885
US-20130012487-A1 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOL COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE4B, PDE3A AURKA 4100/4885CCNA2 4108/4885CDK2 2394/4885
US-20140378423-A1 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOL COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE4B, PDE3A AURKA 4100/4885CCNA2 4108/4885CDK2 2394/4885
US-20070191386-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 AURKA 347/4885CCNA2 848/4885CDK2 43/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 AURKA 600/4885CCNA2 1043/4885CDK2 70/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 AURKA 347/4885CCNA2 848/4885CDK2 43/4885
US-20140179647-A1 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOL COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE4B, PDE3A AURKA 4100/4885CCNA2 4108/4885CDK2 2394/4885

“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.