SCHEMBL2919161

SCHEMBL2919161

CN1CCN(c2ccc(C(=O)Nc3n[nH]c4c3CN(C(=O)c3ccco3)C4)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 16/20 1.00
ABL1 P00519 4/20 0.66
BCR P11274 3/20 0.66
PLK1 P53350 2/20 0.66
AURKB Q96GD4 8/20 0.65
ALK Q9UM73 2/20 0.65
LIMK1 P53667 3/20 0.64
FLT3 P36888 2/20 0.64
LIMK2 P53671 2/20 0.64
AURKC Q9UQB9 2/20 0.64
CDK2 P24941 4/20 0.62
NTRK1 P04629 3/20 0.62
RET P07949 3/20 0.62
FGFR1 P11362 3/20 0.62
PLK4 O00444 2/20 0.62
JAK2 O60674 2/20 0.62
MAP4K4 O95819 2/20 0.62
LCK P06239 2/20 0.62
FYN P06241 2/20 0.62
FES P07332 2/20 0.62

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
SCHEMBL2924945 0.84 AURKA (1.00) AURKACDK2MAPTCCNA2CCNA1
SCHEMBL2919159 0.84 AURKA (0.73) AURKAABL1BCRPLK1AURKB
SCHEMBL2918897 0.83 AURKA (1.00) AURKAABL1BCRPLK1AURKB
SCHEMBL28841829 0.82 AURKA (0.70) AURKAABL1BCRPLK1AURKB
SCHEMBL2920845 0.81 AURKA (0.74) AURKAABL1BCRPLK1AURKB
SCHEMBL2923322 0.79 AURKA (1.00) AURKAABL1BCRPLK1AURKB
SCHEMBL2918564 0.79 AURKA (0.75) AURKAABL1BCRPLK1AURKB
SCHEMBL2924598 0.79 AURKA (1.00) AURKAABL1BCRPLK1AURKB
SCHEMBL2919718 0.79 AURKA (1.00) AURKAABL1BCRPLK1AURKB
SCHEMBL2917357 0.79 CCNA2 (0.72) AURKACDK2MAPTCCNA2CCNA1

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 347/4885ABL1 367/4885BCR 747/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 AURKA 600/4885ABL1 574/4885BCR 883/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 AURKA 347/4885ABL1 367/4885BCR 747/4885

“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.