SCHEMBL2923593

SCHEMBL2923593

CC(C)CC(=O)Nc1[nH]nc2c1CN(NC(=O)NCc1ccccc1)CC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CCNA1 P78396 1/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.36
KDM5A P29375 1/20 0.36
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
MMP3 P08254 1/20 0.35
SLC1A2 P43004 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
APP P05067 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
RECQL P46063 1/20 0.35
NTRK1 P04629 1/20 0.35

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
SCHEMBL2918861 0.89 CCNA2 (0.40) ALDH1A1CCNA2CDK2CCNA1MAPT
SCHEMBL2918219 0.88 HPGD (0.42) ALDH1A1SMN1; SMN2MAPTGAAKMT2A
SCHEMBL2925971 0.86 CCNA2 (0.35) ALDH1A1SMN1; SMN2CCNA2CDK2CCNA1
SCHEMBL2919432 0.83 NPY5R (0.42) SMN1; SMN2CCNA2CDK2CCNA1MAPT
SCHEMBL2924997 0.83 GAA (0.34) ALDH1A1CCNA2CDK2CCNA1MAPT
SCHEMBL2924407 0.82 CDK2 (0.42) ALDH1A1SMN1; SMN2CCNA2CDK2CCNA1
SCHEMBL2920932 0.82 SMN1; SMN2 (0.36) SMN1; SMN2CCNA2CDK2CCNA1KMT2A
SCHEMBL2924031 0.82 KDM4E (0.39) ALDH1A1SMN1; SMN2CCNA2CDK2CCNA1
SCHEMBL2913080 0.81 CDK2 (0.41) ALDH1A1SMN1; SMN2CCNA2CDK2CCNA1
SCHEMBL2921749 0.80 CCNA2 (0.42) ALDH1A1CCNA2CDK2CCNA1MAPT

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 12 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
EP-1320531-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2003-06-25 EP disclosed
WO-2002012242-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2002-02-14 WO 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 ALDH1A1 4090/4885SMN1; SMN2 3514/4885CCNA2 848/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 ALDH1A1 3455/4885SMN1; SMN2 2568/4885CCNA2 1043/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 ALDH1A1 4090/4885SMN1; SMN2 3514/4885CCNA2 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.