SCHEMBL2925809

SCHEMBL2925809

COc1ccc2c(C(C)C(=O)Nc3[nH]nc4c3CN(NC(=O)NC(C)C)CC4)cccc2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 2/20 0.34
CDK4 P11802 2/20 0.34
CCND1 P24385 2/20 0.34
CCNE1 P24864 2/20 0.34
CDK2 P24941 2/20 0.34
HDAC1 Q13547 1/20 0.32
KCNH2 Q12809 1/20 0.32
EP300 Q09472 1/20 0.32
CREBBP Q92793 1/20 0.32
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
GPR6 P46095 1/20 0.32
KDR P35968 2/20 0.32
AURKA O14965 1/20 0.32
LCK P06239 1/20 0.32
MET P08581 1/20 0.32
TEK Q02763 1/20 0.32
AURKB Q96GD4 1/20 0.32
MAPT P10636 1/20 0.31
LPAR1 Q92633 1/20 0.31

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
SCHEMBL2923413 0.91 MTNR1A (0.35) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL2920510 0.89 CCNE2 (0.38) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL2923476 0.89 ALDH1A1 (0.38) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL2917055 0.81 MAPT (0.46) CDK2MAPT
SCHEMBL2923788 0.80 PTGER4 (0.37) CCNE2CCNE1CDK2
SCHEMBL2924031 0.78 KDM4E (0.39) CDK2MAPT
SCHEMBL2917766 0.77 CCNA2 (0.40) CCNE2CCNE1CDK2
SCHEMBL2922250 0.73
SCHEMBL2915343 0.73 CCNA2 (0.44) CCNE2CCNE1CDK2
SCHEMBL2920307 0.72 CCNA2 (0.44) CDK2ROCK2ROCK1AURKAMAPT

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 CCNE2 1560/4885CDK4 213/4885CCND1 967/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 CCNE2 2160/4885CDK4 236/4885CCND1 1909/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 CCNE2 1560/4885CDK4 213/4885CCND1 967/4885

“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.