SCHEMBL2923343

SCHEMBL2923343

O=C(Nc1[nH]nc2c1CN(C(=O)Nc1ccccc1)C2)c1ccncc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.51
CYP3A4 P08684 3/20 0.47
TSHR P16473 1/20 0.47
NAMPT P43490 6/20 0.46
CYP1A2 P05177 1/20 0.46
JAK2 O60674 1/20 0.45
TYK2 P29597 1/20 0.45
PDE10A Q9Y233 3/20 0.45
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CCNA1 P78396 1/20 0.44
KCNK3 O14649 1/20 0.44
USP2 O75604 1/20 0.43
GAA P10253 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CA1 P00915 1/20 0.42
CA9 Q16790 1/20 0.42
POLB P06746 1/20 0.41
STAT3 P40763 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL2919266 0.93 CCNA2 (0.47) NAMPTCCNA2CDK2CCNA1POLB
SCHEMBL2925012 0.89 CDK2 (0.43) HTTNAMPTJAK2TYK2CCNA2
SCHEMBL2919308 0.89 PTPN1 (0.47) NAMPTCCNA2CDK2CCNA1GAA
SCHEMBL2914079 0.89 KCNK3 (0.47) NAMPTPDE10ACCNA2CDK2CCNA1
SCHEMBL2923908 0.88 NAMPT (0.52) CYP3A4NAMPTCYP1A2CCNA2CDK2
SCHEMBL2916464 0.88 NAMPT (0.48) TSHRNAMPTCCNA2CDK2CCNA1
SCHEMBL2921677 0.88 NAMPT (0.49) NAMPTCCNA2CDK2CCNA1KCNK3
SCHEMBL2918967 0.88 NAMPT (0.46) NAMPTCCNA2CDK2CCNA1POLB
SCHEMBL2920326 0.87 CACNA1B (0.48) NAMPTCCNA2CDK2CCNA1
SCHEMBL2922749 0.85 NAMPT (0.46) HTTTSHRNAMPTALDH1A1CA1

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 HTT 4217/4885CYP3A4 2376/4885TSHR 4177/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 HTT 3763/4885CYP3A4 2005/4885TSHR 4265/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 HTT 4217/4885CYP3A4 2376/4885TSHR 4177/4885

“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.