SCHEMBL2919833

SCHEMBL2919833

CC(=O)Nc1c(-c2[nH]nc3c2CN(C(=O)NC(=O)c2ccccc2)C3)ccc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.39
CCNA2 P20248 2/20 0.39
CDK2 P24941 2/20 0.39
CCNA1 P78396 2/20 0.39
GAA P10253 1/20 0.35
KCNJ11 Q14654 2/20 0.34
ABCC9 O60706 1/20 0.34
ABCC8 Q09428 1/20 0.34
KCNJ8 Q15842 1/20 0.34
ALDH1A1 P00352 4/20 0.32
TSHR P16473 1/20 0.32
CYP1A2 P05177 3/20 0.32
CYP2C9 P11712 3/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C19 P33261 2/20 0.32
F2 P00734 2/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
ADORA3 P0DMS8 2/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL2922992 0.88 FAAH (0.40) CCNA2CDK2CCNA1KCNJ11ABCC9
SCHEMBL2913906 0.87 CCNA2 (0.40) AURKACCNA2CDK2CCNA1KCNJ11
SCHEMBL2919929 0.86 CDK2 (0.38) AURKACCNA2CDK2CCNA1KCNJ11
SCHEMBL2920894 0.86 KDM4E (0.39) AURKACCNA2CDK2CCNA1ALDH1A1
SCHEMBL2919303 0.85 ABCC9 (0.38) AURKACCNA2CDK2CCNA1GAA
SCHEMBL2923060 0.80 CDK2 (0.40) AURKACCNA2CDK2CCNA1GAA
SCHEMBL2917500 0.79 ABCC9 (0.38) CDK2KCNJ11ABCC9ABCC8KCNJ8
SCHEMBL2922151 0.79 ABCC9 (0.38) CDK2KCNJ11ABCC9ABCC8KCNJ8
SCHEMBL2924917 0.79 CDK2 (0.40) AURKACCNA2CDK2CCNA1GAA
SCHEMBL2923888 0.79 BRS3 (0.44) KCNJ11ABCC9ABCC8KCNJ8ALDH1A1

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 AURKA 347/4885CCNA2 848/4885CDK2 43/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 AURKA 600/4885CCNA2 1043/4885CDK2 70/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 AURKA 347/4885CCNA2 848/4885CDK2 43/4885

“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.