SCHEMBL2947129

SCHEMBL2947129

O=C(Cc1cccc2ccccc12)Nc1[nH]nc2c1CN(C(=O)c1ccco1)CC2

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
NPY5R Q15761 1/20 0.42
CDK2 P24941 2/20 0.41
CCNA2 P20248 1/20 0.41
CCNA1 P78396 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPK8 P45983 4/20 0.40
MAPK10 P53779 4/20 0.40
MAPK9 P45984 3/20 0.39
PKM P14618 1/20 0.39
CDK1 P06493 1/20 0.39
CDK4 P11802 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL2947632 0.87 NPY5R (0.45) MEN1KMT2AMAPTNPY5RCDK2
SCHEMBL2922688 0.86 NPY5R (0.44) MEN1KMT2AMAPTNPY5RCDK2
SCHEMBL2941444 0.85 NPY5R (0.46) MEN1KMT2AALDH1A1MAPTNPY5R
SCHEMBL2914309 0.82 GAA (0.49) MEN1KMT2AALDH1A1NPY5RCDK2
SCHEMBL2920350 0.79 NPY5R (0.46) MEN1KMT2AALDH1A1NPY5RCDK2
SCHEMBL2919432 0.79 NPY5R (0.42) MEN1KMT2AMAPTNPY5RCDK2
SCHEMBL2923283 0.78 NPY5R (0.48) MEN1KMT2AALDH1A1NPY5RCDK2
SCHEMBL2916391 0.78 NPY5R (0.48) MEN1KMT2AALDH1A1NPY5RCDK2
SCHEMBL2916241 0.77 MAPT (0.52) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL2919505 0.77 SIGMAR1 (0.53) MEN1KMT2AALDH1A1NPY5RCDK2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MEN1 3952/4885KMT2A 2789/4885ALDH1A1 4090/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 MEN1 4143/4885KMT2A 3607/4885ALDH1A1 3455/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 MEN1 3952/4885KMT2A 2789/4885ALDH1A1 4090/4885

“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.