SCHEMBL2913016

SCHEMBL2913016

O=C(CCN1CCCCC1)Nc1n[nH]c2c1CN(Cc1ccccc1)C2

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
POLB P06746 2/20 0.51
CCNA2 P20248 3/20 0.51
CDK2 P24941 3/20 0.51
CCNA1 P78396 3/20 0.51
AURKA O14965 1/20 0.51
HRH1 P35367 1/20 0.51
APP P05067 1/20 0.49
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 2/20 0.49
BRS3 P32247 3/20 0.49
HTR1A P08908 1/20 0.48
HTR7 P34969 1/20 0.48
LMNA P02545 1/20 0.48
PARP1 P09874 1/20 0.47
MMP2 P08253 1/20 0.46
MMP8 P22894 1/20 0.46

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
SCHEMBL2913982 0.91 CCNA2 (0.51) ALDH1A1POLBCCNA2CDK2CCNA1
SCHEMBL2915604 0.84 CDK2 (0.70) CCNA2CDK2CCNA1AURKABCHE
SCHEMBL2921474 0.84 CCNA2 (0.47) ALDH1A1POLBCCNA2CDK2CCNA1
SCHEMBL2922783 0.84 CCNA2 (0.57) ALDH1A1POLBCCNA2CDK2CCNA1
SCHEMBL2918951 0.83 CCNA2 (0.53) ALDH1A1CCNA2CDK2CCNA1AURKA
SCHEMBL2922081 0.82 CCNA2 (0.68) ALDH1A1POLBCCNA2CDK2CCNA1
SCHEMBL2913011 0.82 ACHE (0.56) ALDH1A1POLBHRH1APPBCHE
SCHEMBL2918058 0.80 CCNA2 (0.58) CCNA2CDK2CCNA1AURKABRS3
SCHEMBL2920682 0.80 CCNA2 (0.53) POLBCCNA2CDK2CCNA1AURKA
SCHEMBL2915667 0.80 AURKA (0.54) ALDH1A1POLBCCNA2CDK2CCNA1

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 ALDH1A1 4090/4885POLB 1334/4885CCNA2 848/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 ALDH1A1 3455/4885POLB 2264/4885CCNA2 1043/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 ALDH1A1 4090/4885POLB 1334/4885CCNA2 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.