SCHEMBL2920050

SCHEMBL2920050

O=C(Cc1ccccc1F)Nc1n[nH]c2c1CN(CCc1ccccc1)C2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 7/20 0.61
CDK2 P24941 7/20 0.61
CCNA1 P78396 7/20 0.61
AURKA O14965 5/20 0.54
SIGMAR1 Q99720 1/20 0.42
NTRK1 P04629 1/20 0.42
ELOVL1 Q9BW60 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
LMNA P02545 2/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
GLS O94925 1/20 0.39
CCNB2 O95067 1/20 0.39
CCNE2 O96020 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNE1 P24864 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL2915492 0.90 CDK2 (0.60) CCNA2CDK2CCNA1AURKASIGMAR1
SCHEMBL2922901 0.89 CDK2 (0.68) CCNA2CDK2CCNA1AURKASIGMAR1
SCHEMBL2914150 0.88 CDK2 (0.57) CCNA2CDK2CCNA1AURKAHTR1A
SCHEMBL2919428 0.87 CDK2 (0.61) CCNA2CDK2CCNA1AURKANTRK1
SCHEMBL2921202 0.87 CDK2 (0.53) CCNA2CDK2CCNA1AURKASIGMAR1
SCHEMBL2922521 0.85 CDK2 (0.56) CCNA2CDK2CCNA1AURKASIGMAR1
SCHEMBL2922858 0.84 CCNA2 (0.47) CCNA2CDK2CCNA1AURKANTRK1
SCHEMBL2922676 0.83 CCNA2 (0.75) CCNA2CDK2CCNA1AURKANTRK1
SCHEMBL2917363 0.83 CDK2 (0.63) CCNA2CDK2CCNA1AURKASIGMAR1
SCHEMBL2920052 0.82 CCNA2 (0.43) CCNA2CDK2CCNA1SIGMAR1ELOVL1

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 CCNA2 848/4885CDK2 43/4885CCNA1 793/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 CCNA2 1043/4885CDK2 70/4885CCNA1 1090/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 CCNA2 848/4885CDK2 43/4885CCNA1 793/4885

“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.