SCHEMBL6470657

SCHEMBL6470657

NC(=O)Nc1cn(-c2cccc(I)c2)nc1C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.48
IRAK4 Q9NWZ3 9/20 0.44
SCN9A Q15858 1/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.39
POLB P06746 2/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PARP1 P09874 2/20 0.39
PARP2 Q9UGN5 2/20 0.39
PARP3 Q9Y6F1 2/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL6505234 0.86 ITK (0.49) ITKIRAK4SCN9AMAPTLMNA
SCHEMBL6470432 0.85 SMN1; SMN2 (0.51) ITKIRAK4SCN9AMAPTKDM4E
SCHEMBL6503646 0.85 ITK (0.51) ITKIRAK4SCN9AMAPTLMNA
SCHEMBL6506661 0.85 ITK (0.48) ITKIRAK4SCN9AMAPTKDM4E
SCHEMBL6466511 0.84 ITK (0.44) ITKIRAK4MAPTLMNAKDM4E
SCHEMBL6503522 0.81 ITK (0.48) ITKIRAK4SCN9AMAPTLMNA
SCHEMBL6497270 0.81 KMT2A (0.50) ITKSCN9AMAPTKMT2AMEN1
SCHEMBL6502841 0.81 SCN9A (0.53) ITKIRAK4SCN9AMAPTLMNA
SCHEMBL6504095 0.81 ITK (0.46) ITKIRAK4SCN9AMAPTLMNA
SCHEMBL6504091 0.81 ITK (0.46) ITKIRAK4SCN9AMAPTLMNA

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.