SCHEMBL6467313

SCHEMBL6467313

NC(=O)Nc1cn(-c2ccc([S+]([O-])c3ccccc3F)cc2)nc1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.41
KDM4E B2RXH2 5/20 0.36
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
IRAK4 Q9NWZ3 5/20 0.35
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PARP1 P09874 3/20 0.34
HTT P42858 2/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 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
SCHEMBL6467641 0.90 ITK (0.43) ITKKDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL6499383 0.88 MAPT (0.39) ITKKDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL6467992 0.87 KDM4E (0.41) ITKKDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL6466381 0.84 ITK (0.42) ITKKDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL6507678 0.82 IRAK4 (0.41) ITKKDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL6500553 0.81 IRAK4 (0.41) ITKKDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL6467527 0.79 KDM4E (0.47) ITKKDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL6505377 0.79 MAPT (0.42) ITKKDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL6467588 0.77 ABCC9 (0.42) ITKIRAK4CA12CA1CA2
SCHEMBL6497651 0.77 ITK (0.42) ITKKDM4EMAPTSMN1; SMN2ALDH1A1

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 4236/4885KDM4E 2424/4885MAPT 1906/4885

“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.