SCHEMBL6468656

SCHEMBL6468656

CC(C#N)Oc1ccc(F)cc1-c1ccc(-n2cc(NC(N)=O)c(C(N)=O)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.43
MKNK2 Q9HBH9 1/20 0.39
LRRK2 Q5S007 1/20 0.39
KDM4E B2RXH2 3/20 0.35
MAPT P10636 3/20 0.35
GPR6 P46095 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
SCN9A Q15858 1/20 0.35
ABL1 P00519 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
LMNA P02545 1/20 0.34
DHODH Q02127 1/20 0.34
ALDH1A1 P00352 3/20 0.34
HTT P42858 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33

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
SCHEMBL6499913 0.86 LRRK2 (0.46) ITKLRRK2KDM4EMAPTIDO1
SCHEMBL6470117 0.85 ALOX5AP (0.39) ITKLRRK2KDM4EMAPTGPR6
SCHEMBL6504773 0.82 KDM4E (0.38) ITKLRRK2KDM4EMAPTIDO1
SCHEMBL6478556 0.81 PTGDR2 (0.45) ITKKDM4EMAPTSCN9ALMNA
SCHEMBL6502148 0.81 RAB9A (0.40) ITKLRRK2KDM4EMAPTIDO1
SCHEMBL6469640 0.80 ALOX5AP (0.41) ITKKDM4EMAPTGPR6IDO1
SCHEMBL6467401 0.80 KDM4E (0.41) ITKKDM4EMAPTIDO1TDO2
SCHEMBL6470300 0.80 ITK (0.52) ITKLRRK2KDM4EMAPTSCN9A
SCHEMBL6465688 0.79 RAB9A (0.39) ITKLRRK2KDM4EMAPTSCN9A
SCHEMBL6500174 0.79 ITK (0.41) ITKLRRK2KDM4EMAPTIDO1

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 4236/4885MKNK2 2808/4885LRRK2 1932/4885

“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.