SCHEMBL6504083

SCHEMBL6504083

NC(=O)Nc1cn(-c2ccc(-c3ccc(C(=O)O)c(F)c3)cc2)nc1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.41
KIF11 P52732 3/20 0.41
ITK Q08881 1/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALOX5AP P20292 3/20 0.39
PARP1 P09874 3/20 0.39
ALOX5 P09917 2/20 0.39
FEN1 P39748 2/20 0.39
CYP3A4 P08684 1/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL6467616 0.93 KIF11 (0.43) KIF11ITKKDM4EALDH1A1MAPT
SCHEMBL6478539 0.89 ITK (0.43) AXLKIF11ITKALOX5APPARP1
SCHEMBL6507842 0.89 IDO1 (0.45) KIF11ITKKDM4EALDH1A1MAPT
SCHEMBL6470232 0.89 ALOX5AP (0.41) KIF11ITKKDM4EALDH1A1MAPT
SCHEMBL6467657 0.88 KMT2A (0.44) ALDH1A1MAPK1PARP1KMT2A
SCHEMBL6477607 0.85 HDAC1 (0.42) KDM4EALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL6498191 0.84 KDM4E (0.41) ITKKDM4EALDH1A1MAPTNPC1
SCHEMBL6499042 0.84 KDM4E (0.49) ITKKDM4EALDH1A1MAPTNPC1
SCHEMBL6504415 0.84 KDM4E (0.50) ITKKDM4EALDH1A1MAPTNPC1
SCHEMBL6497388 0.84 KDM4E (0.53) ITKKDM4EALDH1A1MAPTNPC1

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 AXL 1754/4885KIF11 4732/4885ITK 4236/4885

“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.