SCHEMBL6465906

SCHEMBL6465906

NC(=O)Nc1cn(-c2ccc(-c3ccccc3O)c(Cl)c2)nc1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.41
MAPT P10636 4/20 0.38
RAB9A P51151 4/20 0.38
KMT2A Q03164 4/20 0.38
KDM4E B2RXH2 4/20 0.38
NPC1 O15118 4/20 0.38
ALDH1A1 P00352 3/20 0.38
GAA P10253 3/20 0.38
PKM P14618 1/20 0.38
POLB P06746 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SCN9A Q15858 1/20 0.36
THRB P10828 1/20 0.36
IRAK4 Q9NWZ3 6/20 0.36
MEN1 O00255 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 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
SCHEMBL6468202 0.87 ITK (0.43) ITKMAPTRAB9AKMT2AKDM4E
SCHEMBL6497900 0.87 ITK (0.41) ITKMAPTRAB9AKMT2AKDM4E
SCHEMBL6499994 0.85 ITK (0.39) ITKMAPTRAB9AKMT2AKDM4E
SCHEMBL6468728 0.84 IKBKB (0.42) ITKMAPTRAB9AKDM4ENPC1
SCHEMBL6469636 0.84 SCN9A (0.41) ITKMAPTRAB9AKMT2ANPC1
SCHEMBL6468749 0.84 ITK (0.44) ITKMAPTRAB9AKMT2AKDM4E
SCHEMBL6507561 0.83 KDM4E (0.45) ITKMAPTRAB9AKMT2AKDM4E
SCHEMBL6470268 0.83 ITK (0.42) ITKMAPTRAB9AKMT2AKDM4E
SCHEMBL6502010 0.82 SCN9A (0.51) ITKMAPTRAB9AKMT2AKDM4E
SCHEMBL6470220 0.81 ITK (0.38) ITKKMT2AKDM4EPOLBSCN9A

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 4236/4885MAPT 1906/4885RAB9A 2534/4885

“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.