SCHEMBL2918119

SCHEMBL2918119

COc1cc(OC)cc(C(=O)Nc2n[nH]c3c2CN(CCc2ccccc2)C3)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 9/20 0.52
CDK2 P24941 9/20 0.52
CCNA2 P20248 6/20 0.52
CCNA1 P78396 6/20 0.52
NTRK1 P04629 5/20 0.49
KCNH2 Q12809 1/20 0.49
CDK7 P50613 3/20 0.47
MELK Q14680 3/20 0.47
DAPK3 O43293 2/20 0.47
PAK4 O96013 2/20 0.47
FLT3 P36888 2/20 0.47
CLK2 P49760 2/20 0.47
CDK5 Q00535 2/20 0.47
CAMK2D Q13557 2/20 0.47
CLK4 Q9HAZ1 2/20 0.47
CDC7 O00311 1/20 0.47
CDK8 P49336 1/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
PRKX P51817 1/20 0.47

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
SCHEMBL2918895 0.93 NTRK1 (0.56) AURKACDK2CCNA2CCNA1NTRK1
SCHEMBL2922501 0.91 AURKA (0.63) AURKACDK2CCNA2CCNA1NTRK1
SCHEMBL2919137 0.90 CDK2 (0.53) AURKACDK2CCNA2CCNA1NTRK1
SCHEMBL2917893 0.87 ABCG2 (0.50) AURKACDK2CCNA2CCNA1NTRK1
SCHEMBL2916223 0.87 AURKA (0.61) AURKACDK2CCNA2CCNA1NTRK1
SCHEMBL2918015 0.85 CDK2 (0.46) AURKACDK2CCNA2CCNA1NTRK1
SCHEMBL2925495 0.85 DRD4 (0.52) AURKACDK2CCNA2CCNA1NTRK1
SCHEMBL2918524 0.84 AURKA (0.59) AURKACDK2CCNA2CCNA1NTRK1
SCHEMBL2921966 0.84 AURKA (0.61) AURKACDK2CCNA2CCNA1NTRK1
SCHEMBL2915145 0.84 TAAR1 (0.47) AURKACDK2CCNA2CCNA1NTRK1

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 43/4885CCNA2 848/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 AURKA 600/4885CDK2 70/4885CCNA2 1043/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 AURKA 347/4885CDK2 43/4885CCNA2 848/4885

“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.