SCHEMBL6505030

SCHEMBL6505030

NC(=O)Nc1cn(-c2ccc(-c3cc(F)cc(F)c3)cc2)nc1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.42
KDM4E B2RXH2 6/20 0.42
MAPT P10636 5/20 0.42
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PARP1 P09874 7/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
KIF11 P52732 2/20 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
SCHEMBL6504415 0.91 KDM4E (0.50) ITKKDM4EMAPTALDH1A1MEN1
SCHEMBL6467527 0.87 KDM4E (0.47) ITKKDM4EMAPTALDH1A1MEN1
SCHEMBL6502065 0.87 SCN9A (0.46) ITKKDM4EMAPTALDH1A1MEN1
SCHEMBL6507842 0.87 IDO1 (0.45) ITKKDM4EMAPTALDH1A1MEN1
SCHEMBL6497388 0.86 KDM4E (0.53) ITKKDM4EMAPTALDH1A1MEN1
SCHEMBL6467616 0.85 KIF11 (0.43) ITKKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL6498693 0.85 KDM4E (0.46) ITKKDM4EMAPTALDH1A1MEN1
SCHEMBL6507198 0.85 MAP4K4 (0.47) ITKKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL6499042 0.84 KDM4E (0.49) ITKKDM4EMAPTALDH1A1MEN1
SCHEMBL6503754 0.84 KDM4E (0.42) ITKKDM4EMAPTALDH1A1MEN1

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 4236/4885KDM4E 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.