SCHEMBL6478556

SCHEMBL6478556

NC(=O)Nc1cn(-c2ccc(-c3cc(F)ccc3OCC(=O)O)cc2)nc1C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.45
FABP3 P05413 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
PKM P14618 1/20 0.38
MAPT P10636 1/20 0.38
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ITK Q08881 1/20 0.37
SCN9A Q15858 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37

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
SCHEMBL6504773 0.94 KDM4E (0.38) PTGDR2FABP3KDM4EALDH1A1MEN1
SCHEMBL6502148 0.90 RAB9A (0.40) PTGDR2KDM4EALDH1A1MEN1HTT
SCHEMBL6465688 0.89 RAB9A (0.39) PTGDR2KDM4EALDH1A1MEN1HTT
SCHEMBL6470117 0.87 ALOX5AP (0.39) FABP3KDM4EALDH1A1MEN1HTT
SCHEMBL6499913 0.87 LRRK2 (0.46) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL6470068 0.86 FKBP1A (0.45) ALDH1A1HTTMAPTSMN1; SMN2SCN9A
SCHEMBL6505508 0.84 IRAK4 (0.37) FABP3KDM4EALDH1A1MEN1HTT
SCHEMBL6467401 0.82 KDM4E (0.41) KDM4EALDH1A1MEN1HTTKMT2A
SCHEMBL6503754 0.81 KDM4E (0.42) KDM4EALDH1A1MEN1HTTKMT2A
SCHEMBL6470351 0.81 KDM4E (0.42) KDM4EALDH1A1MEN1HTTKMT2A

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 PTGDR2 374/4885FABP3 2083/4885KDM4E 2424/4885

“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.