SCHEMBL6501920

SCHEMBL6501920

NC(=O)Nc1cn(-c2ccc(Sc3cccc(Br)c3)cc2)nc1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.43
ALDH1A1 P00352 3/20 0.41
HTT P42858 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
SIRT1 Q96EB6 1/20 0.37
LRRK2 Q5S007 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
IRAK4 Q9NWZ3 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 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
SCHEMBL6497944 0.87 ITK (0.45) ITKALDH1A1MAPTMEN1KMT2A
SCHEMBL6468649 0.87 ITK (0.43) ITKALDH1A1HTTMAPTMEN1
SCHEMBL6504781 0.87 ITK (0.43) ITKALDH1A1MAPTMEN1KMT2A
SCHEMBL6470432 0.84 SMN1; SMN2 (0.51) ITKALDH1A1HTTMAPTMEN1
SCHEMBL6470131 0.83 ITK (0.41) ITKALDH1A1HTTMAPTMEN1
SCHEMBL6470394 0.82 IRAK4 (0.42) ITKALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL6498279 0.82 ALDH1A1 (0.47) ITKALDH1A1MAPTKMT2AKDM4E
SCHEMBL6470631 0.82 KDM4E (0.42) ITKALDH1A1HTTMAPTMEN1
SCHEMBL6469788 0.81 KMT2A (0.46) ITKALDH1A1HTTMAPTMEN1
SCHEMBL6467925 0.79 MAPT (0.41) ITKALDH1A1HTTMAPTMEN1

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 4236/4885ALDH1A1 846/4885HTT 4097/4885

“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.