SCHEMBL2418629

SCHEMBL2418629

CC(C)(C)c1ccc(CC(=O)Nc2n[nH]c3sc(C(=O)Nc4c(Cl)cccc4Cl)cc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.44
GSK3B P49841 2/20 0.40
BDKRB1 P46663 1/20 0.38
CDK2 P24941 5/20 0.38
RET P07949 1/20 0.37
KCNJ6 P48051 1/20 0.37
KCNJ5 P48544 1/20 0.37
KCNJ3 P48549 1/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
AURKA O14965 1/20 0.36
ROCK2 O75116 1/20 0.36
CDK1 P06493 1/20 0.36
MAPK1 P28482 1/20 0.36
GSK3A P49840 1/20 0.36
LCK P06239 1/20 0.36
CACNA1H O95180 1/20 0.36
NR1H4 Q96RI1 2/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL2418996 0.91 CDK2 (0.41) NLRP3GSK3BCDK2JAK2JAK1
SCHEMBL2415476 0.91 CDK2 (0.44) NLRP3GSK3BCDK2RETJAK2
SCHEMBL2418738 0.90 NPC1 (0.47) NLRP3GSK3BBDKRB1CDK2NR1H4
SCHEMBL2412951 0.90 CDK2 (0.45) CDK2JAK2JAK1CDK1MAPK1
SCHEMBL2420145 0.89 NLRP3 (0.44) NLRP3GSK3BCDK2RETAURKA
SCHEMBL2416533 0.89 CDK2 (0.41) GSK3BCDK2JAK2JAK1CDK1
SCHEMBL2419104 0.88 NLRP3 (0.44) NLRP3CDK2
SCHEMBL2416092 0.88 NLRP3 (0.48) NLRP3NR1H4
SCHEMBL2422135 0.85 NLRP3 (0.48) NLRP3GSK3BCDK2JAK2AURKA
SCHEMBL2422254 0.84 NLRP3 (0.48) NLRP3GSK3BCDK2RETCDK1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7541378-B2 Condensed heterocyclic pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2009-06-02 US claimed
EP-1530573-B1 CONDENSED HETEROCYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2008-03-19 EP claimed
US-8017643-B2 Condensed heterocyclic pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-09-13 US disclosed
US-20100286223-A1 Condensed Heterocyclic Pyrazole Derivatives as Kinase Inhibitors PFIZER ITALIA S.R.L. (IT) 2010-11-11 US disclosed
US-7786048-B2 Condensed heterocyclic pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2010-08-31 US disclosed
US-20090233813-A1 Condensed Heterocyclic Pyrazole Derivatives as Kinase Inhibitors PFIZER ITALIA S.R.L. (IT) 2009-09-17 US disclosed
US-7541378-B2 Condensed heterocyclic pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2009-06-02 US disclosed
EP-1530573-B1 CONDENSED HETEROCYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2008-03-19 EP disclosed
US-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2006-06-08 US disclosed
EP-1530573-A1 CONDENSED HETEROCYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2005-05-18 EP disclosed
WO-2004013146-A1 CONDENSED HETEROCYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A (IT) 2004-02-12 WO 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 (2 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-20100286223-A1 Condensed Heterocyclic Pyrazole Derivatives as Kinase Inhibitors CDK2, MAP3K19, MAP3K15 NLRP3 1495/4885GSK3B 397/4885BDKRB1 1439/4885
US-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors CDK2, MAP3K19, MAP3K15 NLRP3 1495/4885GSK3B 397/4885BDKRB1 1439/4885

“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.