SCHEMBL2916751

SCHEMBL2916751

CC(C)(C)c1ccc(C(=O)Nc2[nH]nc3c2CN(C(=O)Cc2ccc(OCCN4CCCC4)cc2)C3)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AURKA O14965 6/20 0.49
FLT3 P36888 8/20 0.48
KDR P35968 7/20 0.48
ALK Q9UM73 2/20 0.48
KDM4E B2RXH2 1/20 0.47
FLT1 P17948 3/20 0.44
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CCNA1 P78396 1/20 0.43
KCNA5 P22460 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
PSMB1 P20618 1/20 0.41
PSMB5 P28074 1/20 0.41
PSMB2 P49721 1/20 0.41

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
SCHEMBL2916669 0.90 AURKA (0.51) AURKAALDH1A1
SCHEMBL2921481 0.89 FLT3 (0.51) AURKAFLT3KDRALKFLT1
SCHEMBL2917697 0.86 AURKA (0.53) AURKACCNA2CDK2CCNA1
SCHEMBL2916754 0.86 AURKA (0.69) AURKAFLT3KDRALKKDM4E
SCHEMBL2921579 0.84 AURKA (0.45) AURKAFLT3KDRALK
SCHEMBL2917579 0.82 AURKA (0.70) AURKACCNA2CDK2CCNA1ALDH1A1
SCHEMBL2918066 0.79 AURKA (0.54) AURKAKDM4E
SCHEMBL2913665 0.78 USP2 (0.48) AURKAFLT3KDRFLT1ALDH1A1
SCHEMBL2916776 0.77 AURKA (0.57) AURKAALDH1A1
SCHEMBL2922031 0.77 AURKA (0.64) AURKAALDH1A1

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 347/4885FLT3 437/4885KDR 846/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 AURKA 600/4885FLT3 605/4885KDR 2262/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 AURKA 347/4885FLT3 437/4885KDR 846/4885

“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.