SCHEMBL2918573

SCHEMBL2918573

CC(C)(C)c1ccc(C(=O)Nc2[nH]nc3c2CN(C(=O)C(F)c2ccccc2)C3)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 13/20 0.52
AURKB Q96GD4 7/20 0.52
ALK Q9UM73 2/20 0.41
ABL1 P00519 5/20 0.40
BCR P11274 4/20 0.40
NTRK1 P04629 3/20 0.40
RET P07949 3/20 0.40
FGFR1 P11362 3/20 0.40
CDK2 P24941 3/20 0.40
PLK4 O00444 2/20 0.40
JAK2 O60674 2/20 0.40
MAP4K4 O95819 2/20 0.40
LCK P06239 2/20 0.40
FYN P06241 2/20 0.40
FES P07332 2/20 0.40
LYN P07948 2/20 0.40
SRC P12931 2/20 0.40
PHKG2 P15735 2/20 0.40
FER P16591 2/20 0.40
MARK3 P27448 2/20 0.40

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
SCHEMBL2914420 0.87 AURKA (0.50) AURKAAURKBALKABL1BCR
SCHEMBL2925281 0.85 AURKA (0.73) AURKAAURKBALKABL1BCR
SCHEMBL2922576 0.84 AURKA (0.51) AURKAABL1BCRCDK2CCNA2
SCHEMBL2918575 0.83 AURKA (0.73) AURKAAURKBALKABL1BCR
SCHEMBL2920863 0.82 AURKA (0.50) AURKACDK2CCNA2CCNA1NPC1
SCHEMBL2916234 0.82 AURKA (0.44) AURKAAURKBABL1BCRKCNK9
SCHEMBL2914948 0.82 AURKA (0.51) AURKAAURKBALKNPC1RAB9A
SCHEMBL2917579 0.81 AURKA (0.70) AURKAABL1BCRCDK2CCNA2
SCHEMBL2919885 0.79 STK25 (0.46) AURKAKCNK9NPC1RAB9ASMN1; SMN2
SCHEMBL2919906 0.79 AURKA (0.49) AURKACDK2CCNA2CCNA1NPC1

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 347/4885AURKB 269/4885ALK 1361/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 AURKA 600/4885AURKB 304/4885ALK 3336/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 AURKA 347/4885AURKB 269/4885ALK 1361/4885

“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.