SCHEMBL6497651

SCHEMBL6497651

NC(=O)Nc1cn(-c2ccc(-c3cccc(F)c3F)cc2)nc1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.42
KDM4E B2RXH2 7/20 0.40
MAPT P10636 6/20 0.40
SCN9A Q15858 1/20 0.39
ALDH1A1 P00352 6/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 1/20 0.38
IRAK4 Q9NWZ3 2/20 0.38
LRRK2 Q5S007 1/20 0.37
LMNA P02545 5/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 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
SCHEMBL6505377 0.93 MAPT (0.42) ITKKDM4EMAPTSCN9AALDH1A1
SCHEMBL6470360 0.86 ITK (0.43) ITKKDM4EMAPTSCN9AALDH1A1
SCHEMBL6507561 0.85 KDM4E (0.45) ITKKDM4EMAPTSCN9AALDH1A1
SCHEMBL6502017 0.84 ITK (0.52) ITKKDM4EMAPTSCN9AALDH1A1
SCHEMBL6506527 0.84 SCN9A (0.46) ITKKDM4EMAPTSCN9AALDH1A1
SCHEMBL6497396 0.83 SCN9A (0.43) ITKKDM4EMAPTSCN9AALDH1A1
SCHEMBL6503754 0.83 KDM4E (0.42) ITKKDM4EMAPTSCN9AALDH1A1
SCHEMBL6504415 0.83 KDM4E (0.50) ITKKDM4EMAPTALDH1A1HTT
SCHEMBL6497388 0.83 KDM4E (0.53) ITKKDM4EMAPTALDH1A1HTT
SCHEMBL6500275 0.83 ALDH1A1 (0.41) ITKKDM4EMAPTALDH1A1HTT

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 1 patent. 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

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 4236/4885KDM4E 2424/4885MAPT 1906/4885

“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.