SCHEMBL6504376

SCHEMBL6504376

Cc1cc(-n2cc(NC(N)=O)c(C(N)=O)n2)ccc1-c1ccc(F)cc1OCC(N)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.38
KCNN4 O15554 1/20 0.36
PSMD14 O00487 1/20 0.36
USP2 O75604 1/20 0.36
MMP2 P08253 1/20 0.36
LMNA P02545 3/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GLA P06280 1/20 0.36
SCN9A Q15858 2/20 0.35
NPC1 O15118 2/20 0.35
ALDH1A1 P00352 2/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
KIF5C O60282 1/20 0.33
KIF11 P52732 1/20 0.33
KIF5A Q12840 1/20 0.33
CCNT1 O60563 2/20 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
SCHEMBL6501329 0.91 KCNN4 (0.38) ITKKCNN4LMNARAB9ASCN9A
SCHEMBL6470404 0.89 GPBAR1 (0.37) ITKKCNN4LMNARAB9ASCN9A
SCHEMBL6470611 0.86 ITK (0.40) ITKLMNARAB9ASMN1; SMN2SCN9A
SCHEMBL6502652 0.85 KCNN4 (0.43) ITKKCNN4SMN1; SMN2SCN9AALDH1A1
SCHEMBL6470704 0.84 ITK (0.39) ITKLMNARAB9ASMN1; SMN2SCN9A
SCHEMBL6504773 0.83 KDM4E (0.38) ITKKCNN4LMNARAB9ASMN1; SMN2
SCHEMBL6500174 0.81 ITK (0.41) ITKLMNARAB9ASMN1; SMN2SCN9A
SCHEMBL6499099 0.79 ITK (0.42) ITKSMN1; SMN2NPC1ALDH1A1
SCHEMBL6499798 0.78 SCN9A (0.48) ITKLMNASMN1; SMN2SCN9AALDH1A1
SCHEMBL6502246 0.78 ITK (0.44) ITKLMNANPC1ALDH1A1GRIN1

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 4236/4885KCNN4 3466/4885PSMD14 2469/4885

“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.