SCHEMBL2916699

SCHEMBL2916699

CC(=O)Nc1cccc(-c2[nH]nc3c2CN(C(N)=O)C3)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.44
BTK Q06187 2/20 0.41
CDK2 P24941 15/20 0.40
CCNE2 O96020 13/20 0.40
CCNE1 P24864 13/20 0.40
CDK4 P11802 10/20 0.40
CCND1 P24385 10/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CCNA2 P20248 1/20 0.36
CCNA1 P78396 1/20 0.36
JAK2 O60674 1/20 0.36
LCK P06239 1/20 0.36
LYN P07948 1/20 0.36
KIT P10721 1/20 0.36
TEC P42680 1/20 0.36
TXK P42681 1/20 0.36
BMX P51813 1/20 0.36

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
SCHEMBL2917551 0.91 CHEK1 (0.45) CHEK1BTKCDK2CCNE2CCNE1
SCHEMBL2920690 0.87 CHEK1 (0.42) CHEK1CDK2CCNE2CCNE1CDK4
SCHEMBL2920088 0.86 CDK2 (0.41) CHEK1CDK2CCNE2CCNE1CDK4
SCHEMBL2921809 0.86 CDK2 (0.41) CHEK1CDK2CCNE2CCNE1CDK4
SCHEMBL2920113 0.85 CHEK1 (0.44) CHEK1BTKCDK2CCNE2CCNE1
SCHEMBL2923060 0.83 CDK2 (0.40) CHEK1CDK2CCNE2CCNE1CDK4
SCHEMBL2920834 0.83 CDK2 (0.38) CHEK1CDK2CCNE2CCNE1CDK4
SCHEMBL2914389 0.83 CCNE2 (0.44) CHEK1CDK2CCNE2CCNE1CDK4
SCHEMBL2917526 0.83 KDM4E (0.40) CHEK1CDK2CCNE2CCNE1CDK4
SCHEMBL2922669 0.80 ALDH1A1 (0.41) CHEK1CDK2CCNE2CCNE1CDK4

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 CHEK1 228/4885BTK 375/4885CDK2 43/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 CHEK1 270/4885BTK 700/4885CDK2 70/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 CHEK1 228/4885BTK 375/4885CDK2 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.