SCHEMBL6470432

SCHEMBL6470432

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

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.51
ITK Q08881 1/20 0.48
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
ATM Q13315 1/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
IRAK4 Q9NWZ3 2/20 0.41
SCN9A Q15858 1/20 0.40
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDE4A P27815 1/20 0.39
PARP1 P09874 3/20 0.39
PARP2 Q9UGN5 2/20 0.39
PARP3 Q9Y6F1 2/20 0.39

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
SCHEMBL18039550 0.90 SMN1; SMN2 (0.52) SMN1; SMN2ITKALDH1A1KDM4EATM
SCHEMBL6468166 0.90 SMN1; SMN2 (0.46) SMN1; SMN2ITKALDH1A1KDM4EATM
SCHEMBL6468154 0.88 SMN1; SMN2 (0.50) SMN1; SMN2ITKALDH1A1KDM4EATM
SCHEMBL18039469 0.87 SMN1; SMN2 (0.54) SMN1; SMN2ITKALDH1A1KDM4EATM
SCHEMBL6505234 0.86 ITK (0.49) SMN1; SMN2ITKALDH1A1KDM4EMAPT
SCHEMBL6503646 0.85 ITK (0.51) SMN1; SMN2ITKALDH1A1KDM4EMAPT
SCHEMBL6506661 0.85 ITK (0.48) ITKALDH1A1KDM4EMAPTHTT
SCHEMBL6470657 0.85 ITK (0.48) SMN1; SMN2ITKALDH1A1KDM4EMAPT
SCHEMBL6501920 0.84 ITK (0.43) SMN1; SMN2ITKALDH1A1KDM4EATM
SCHEMBL6504095 0.84 ITK (0.46) SMN1; SMN2ITKALDH1A1KDM4EMAPT

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 SMN1; SMN2 3519/4885ITK 4236/4885ALDH1A1 846/4885

“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.