SCHEMBL6471987

SCHEMBL6471987

N#CCOc1cccc(-c2ccc(-n3cc(NC(N)=O)c(C(N)=O)n3)cc2Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.40
IRAK4 Q9NWZ3 5/20 0.38
SCN9A Q15858 2/20 0.38
POLQ O75417 1/20 0.36
FABP3 P05413 1/20 0.35
FABP4 P15090 1/20 0.35
RAF1 P04049 1/20 0.34
BRAF P15056 1/20 0.34
ABL1 P00519 1/20 0.34
CTSA P10619 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
SCHEMBL6465917 0.90 ITK (0.41) ITKIRAK4SCN9APOLQCTSA
SCHEMBL6499588 0.90 ITK (0.42) ITKIRAK4SCN9APOLQ
SCHEMBL6465874 0.88 ITK (0.44) ITKIRAK4SCN9APOLQCTSA
SCHEMBL6502983 0.88 ITK (0.41) ITKIRAK4SCN9APOLQ
SCHEMBL6500908 0.87 SCN9A (0.42) ITKIRAK4SCN9APOLQ
SCHEMBL6507219 0.87 ITK (0.44) ITKIRAK4SCN9APOLQCTSA
SCHEMBL6470220 0.86 ITK (0.38) ITKIRAK4SCN9AFABP3ABL1
SCHEMBL6470662 0.83 ITK (0.45) ITKIRAK4SCN9ACTSA
SCHEMBL6468728 0.82 IKBKB (0.42) ITKIRAK4SCN9ABRAF
SCHEMBL6507532 0.82 SCN9A (0.52) ITKIRAK4SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation PHARMACIA AND UPJOHN COMPANY LLC 2005-09-08 US disclosed
WO-2005037797-A1 SUBSTITUTED PYRAZOLE UREA COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-04-28 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 (1 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-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation IL4, ARG2, CASP4 ITK 4236/4885IRAK4 27/4885SCN9A 4159/4885

“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.