SCHEMBL2417823

SCHEMBL2417823

CC(C)(C)c1ccc(CC(=O)Nc2n[nH]c3sc(C(=O)Nc4ccccc4C#N)cc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.42
CACNA1H O95180 7/20 0.40
GAA P10253 1/20 0.38
GSK3B P49841 1/20 0.38
NLRP3 Q96P20 1/20 0.38
AURKA O14965 1/20 0.38
CDK2 P24941 2/20 0.37
NR1H4 Q96RI1 1/20 0.37
PLA2G7 Q13093 1/20 0.37
DHPS P49366 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
SCHEMBL2418845 0.91 THRB (0.43) THRBGAACDK2
SCHEMBL2417715 0.91 THRB (0.45) THRBGAAAURKACDK2
SCHEMBL2414551 0.90 THRB (0.43) THRBGAAGSK3BAURKACDK2
SCHEMBL2416971 0.90 THRB (0.43) THRBGAACDK2
SCHEMBL2417202 0.89 THRB (0.43) THRBGAA
SCHEMBL2420858 0.87 RORC (0.41) THRBCACNA1HGSK3BNLRP3AURKA
SCHEMBL2418738 0.87 NPC1 (0.47) THRBGSK3BNLRP3CDK2NR1H4
SCHEMBL2419060 0.85 MEN1 (0.45) CACNA1HGAANR1H4
SCHEMBL2418142 0.84 THRB (0.43) THRBGAANLRP3
SCHEMBL2418951 0.84 NR1H4 (0.48) CACNA1HNLRP3NR1H4

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 9 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-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 THRB 2599/4885CACNA1H 4661/4885GAA 2777/4885
US-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors CDK2, MAP3K19, MAP3K15 THRB 2599/4885CACNA1H 4661/4885GAA 2777/4885

“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.