SCHEMBL6470704

SCHEMBL6470704

Cc1cc(-n2cc(NC(N)=O)c(C(N)=O)n2)ccc1-c1cc(F)ccc1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.39
NPC1 O15118 4/20 0.38
LMNA P02545 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 3/20 0.38
KIF5C O60282 1/20 0.35
KIF11 P52732 1/20 0.35
KIF5A Q12840 1/20 0.35
TOP2A P11388 1/20 0.35
SCN9A Q15858 1/20 0.34
MAPT P10636 4/20 0.34
KDM4E B2RXH2 3/20 0.34
GRM1 Q13255 1/20 0.34
PARP1 P09874 4/20 0.33
MAP3K14 Q99558 1/20 0.33
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL6470611 0.94 ITK (0.40) ITKNPC1LMNARAB9AALDH1A1
SCHEMBL6508879 0.90 ITK (0.38) ITKNPC1LMNARAB9AALDH1A1
SCHEMBL6468202 0.88 ITK (0.43) ITKNPC1RAB9AALDH1A1SCN9A
SCHEMBL6467401 0.85 KDM4E (0.41) ITKNPC1LMNARAB9AALDH1A1
SCHEMBL6499099 0.85 ITK (0.42) ITKNPC1ALDH1A1MAPTKDM4E
SCHEMBL6507365 0.85 ITK (0.38) ITKNPC1LMNARAB9AALDH1A1
SCHEMBL6500174 0.85 ITK (0.41) ITKNPC1LMNARAB9AALDH1A1
SCHEMBL6504376 0.84 ITK (0.38) ITKNPC1LMNARAB9AALDH1A1
SCHEMBL6506078 0.83 ITK (0.39) ITKNPC1LMNARAB9AALDH1A1
SCHEMBL6470295 0.83 SCN9A (0.49) ITKLMNAALDH1A1SCN9AMAPT

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 4236/4885NPC1 3546/4885LMNA 1826/4885

“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.