SCHEMBL6505377

SCHEMBL6505377

NC(=O)Nc1cn(-c2ccc(-c3ccccc3F)cc2)nc1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
ALDH1A1 P00352 6/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ITK Q08881 1/20 0.41
KDM4E B2RXH2 7/20 0.41
HTT P42858 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LRRK2 Q5S007 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39

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
SCHEMBL6497651 0.93 ITK (0.42) MAPTALDH1A1L3MBTL1ITKKDM4E
SCHEMBL6503754 0.87 KDM4E (0.42) MAPTALDH1A1ITKKDM4EHTT
SCHEMBL6507561 0.87 KDM4E (0.45) MAPTALDH1A1L3MBTL1ITKKDM4E
SCHEMBL6506527 0.86 SCN9A (0.46) MAPTALDH1A1ITKKDM4EHTT
SCHEMBL6504415 0.85 KDM4E (0.50) MAPTALDH1A1L3MBTL1ITKKDM4E
SCHEMBL6497388 0.85 KDM4E (0.53) MAPTALDH1A1L3MBTL1ITKKDM4E
SCHEMBL6500275 0.85 ALDH1A1 (0.41) MAPTALDH1A1L3MBTL1ITKKDM4E
SCHEMBL6499580 0.84 ITK (0.39) MAPTALDH1A1ITKKDM4ESMN1; SMN2
SCHEMBL6470360 0.84 ITK (0.43) MAPTALDH1A1ITKKDM4EMEN1
SCHEMBL6502017 0.84 ITK (0.52) MAPTALDH1A1L3MBTL1ITKKDM4E

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 MAPT 1906/4885ALDH1A1 846/4885L3MBTL1 2494/4885

“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.