SCHEMBL2913104

SCHEMBL2913104

CCNC(=O)N1Cc2n[nH]c(NC(=O)c3ccccc3C(C)=O)c2C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.36
CCNA2 P20248 6/20 0.36
CDK2 P24941 6/20 0.36
CCNA1 P78396 6/20 0.36
AURKA O14965 3/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALPL P05186 1/20 0.34
ALPI P09923 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
JAK2 O60674 2/20 0.34
JAK1 P23458 2/20 0.34
CCNB2 O95067 1/20 0.34
CCNE2 O96020 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNE1 P24864 1/20 0.34
MAPK1 P28482 1/20 0.34
GSK3B P49841 1/20 0.34

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
SCHEMBL2919414 0.90 KDM4E (0.42) CCNA2CDK2CCNA1AURKAALDH1A1
SCHEMBL2926047 0.89 NAMPT (0.44) MTORCCNA2CDK2CCNA1ALDH1A1
SCHEMBL2919561 0.88 NAMPT (0.45) CCNA2CDK2CCNA1SMN1; SMN2KDM4E
SCHEMBL2920908 0.88 NAMPT (0.45) CCNA2CDK2CCNA1ALDH1A1SMN1; SMN2
SCHEMBL2915158 0.88 CCNA2 (0.46) CCNA2CDK2CCNA1AURKAALDH1A1
SCHEMBL2914863 0.87 CCNA2 (0.44) CCNA2CDK2CCNA1AURKAALDH1A1
SCHEMBL2921847 0.87 KMT2A (0.42) ALDH1A1KDM4EMAPT
SCHEMBL2920506 0.87 NAMPT (0.48) CDK2ALDH1A1SMN1; SMN2MAPTCDK1
SCHEMBL4017921 0.87 OPRK1 (0.38) MTORCCNA2CDK2CCNA1AURKA
SCHEMBL2920162 0.86 AURKA (0.47) MTORCCNA2CDK2CCNA1AURKA

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 MTOR 60/4885CCNA2 848/4885CDK2 43/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 MTOR 90/4885CCNA2 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 MTOR 60/4885CCNA2 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.