SCHEMBL2919688

SCHEMBL2919688

Cc1cccc(CC(=O)Nc2[nH]nc3c2CN(CCc2ccccc2)C3)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.47
KCNQ2 O43526 1/20 0.45
CACNA1G O43497 1/20 0.45
CACNA1H O95180 1/20 0.45
CACNA1I Q9P0X4 1/20 0.45
ALDH1A1 P00352 2/20 0.42
PKM P14618 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HTR1A P08908 4/20 0.42
DRD2 P14416 4/20 0.42
FAAH O00519 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GLS O94925 1/20 0.41
CDK2 P24941 2/20 0.40
CDK1 P06493 1/20 0.40
CDK4 P11802 1/20 0.40
NTRK1 P04629 1/20 0.40
AURKA O14965 1/20 0.40
CCNA2 P20248 1/20 0.40
CCNA1 P78396 1/20 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
SCHEMBL2917366 0.90 HTR1A (0.47) BCHECACNA1GCACNA1HCACNA1IHTR1A
SCHEMBL2913472 0.90 BCHE (0.54) BCHEKCNQ2CACNA1GCACNA1HCACNA1I
SCHEMBL2922904 0.90 HTR1A (0.49) BCHEALDH1A1HTR1ADRD2CDK2
SCHEMBL2922522 0.89 KCNQ2 (0.45) KCNQ2HTR1ADRD2FAAHGLS
SCHEMBL2922908 0.86 RAB9A (0.47) ALDH1A1KDM4EHTR1ADRD2L3MBTL1
SCHEMBL2914151 0.85 CACNA1G (0.44) CACNA1GCACNA1HCACNA1IALDH1A1KDM4E
SCHEMBL2919431 0.84 HTR1A (0.47) KCNQ2ALDH1A1HTR1ADRD2GLS
SCHEMBL2915823 0.84 CDK2 (0.56) BCHEKCNQ2CACNA1GCACNA1HCACNA1I
SCHEMBL2918236 0.83 BCHE (0.45) BCHEKCNQ2CACNA1GCACNA1HCACNA1I
SCHEMBL2915750 0.83 OPRM1 (0.43) HTR1ADRD2L3MBTL1GLSCDK2

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 BCHE 4120/4885KCNQ2 2090/4885CACNA1G 4350/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 BCHE 4221/4885KCNQ2 2847/4885CACNA1G 4282/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 BCHE 4120/4885KCNQ2 2090/4885CACNA1G 4350/4885

“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.