SCHEMBL2915071

SCHEMBL2915071

CC(C)(C)c1ccc(C(=O)Nc2[nH]nc3c2CN(C(=O)c2ccncc2)C3)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 5/20 0.48
STK25 O00506 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.43
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CCNA1 P78396 1/20 0.42
HPGD P15428 2/20 0.42
KMT2A Q03164 2/20 0.42
F2 P00734 1/20 0.42
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KIT P10721 1/20 0.41
SRC P12931 1/20 0.41
FLT3 P36888 1/20 0.41
ITK Q08881 1/20 0.41
ALOX15 P16050 1/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 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
SCHEMBL2922576 0.92 AURKA (0.51) AURKASTK25SMN1; SMN2ALDH1A1CCNA2
SCHEMBL2917270 0.89 RAB9A (0.49) AURKASMN1; SMN2ALDH1A1MAPK1CCNA2
SCHEMBL2920863 0.87 AURKA (0.50) AURKASTK25SMN1; SMN2MAPK1CCNA2
SCHEMBL2944470 0.87 AURKA (0.46) AURKASTK25SMN1; SMN2ALDH1A1MAPK1
SCHEMBL2923429 0.86 RAB9A (0.48) AURKASMN1; SMN2MAPK1KMT2AF2
SCHEMBL2922301 0.86 AURKA (0.51) AURKASTK25SMN1; SMN2ALDH1A1CCNA2
SCHEMBL2915730 0.86 AURKA (0.49) AURKASTK25SMN1; SMN2ALDH1A1CCNA2
SCHEMBL4232702 0.85 AURKA (0.46) AURKASTK25SMN1; SMN2MAPK1CCNA2
SCHEMBL2919794 0.84 CCNA2 (0.50) AURKAALDH1A1MAPK1CCNA2CDK2
SCHEMBL2919145 0.83 AURKA (0.47) AURKASMN1; SMN2CCNA2CDK2CCNA1

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 13 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-20070037790-A1 Bicyclo-pyrazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2007-02-15 US disclosed
EP-1608364-A1 BICYCLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2005-12-28 EP disclosed
WO-2004080457-A1 BICYCLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2004-09-23 WO 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 (4 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-20070037790-A1 Bicyclo-pyrazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K15, MAP3K7, MAP3K19 AURKA 179/4885STK25 109/4885SMN1; SMN2 2238/4885
US-20070191386-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 AURKA 347/4885STK25 73/4885SMN1; SMN2 3514/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 AURKA 600/4885STK25 78/4885SMN1; SMN2 2568/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 AURKA 347/4885STK25 73/4885SMN1; SMN2 3514/4885

“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.