SCHEMBL6499288

SCHEMBL6499288

NC(=O)Nc1cn(-c2ccc(-c3cccc(OCC(=O)O)c3)cc2)nc1C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 2/20 0.45
PLA2G2A P14555 1/20 0.45
ITK Q08881 1/20 0.45
FABP4 P15090 6/20 0.45
FABP3 P05413 5/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TP53 P04637 3/20 0.43
MAPK1 P28482 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
IRAK4 Q9NWZ3 2/20 0.40
ITGB3 P05106 1/20 0.40

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
SCHEMBL6499891 0.93 ITK (0.46) PLA2G10PLA2G2AITKFABP4FABP3
SCHEMBL6500765 0.91 ITK (0.46) ITKMEN1KMT2ATP53MAPK1
SCHEMBL6508966 0.89 ITK (0.45) ITKMEN1KMT2ATP53MAPK1
SCHEMBL6470681 0.89 ITK (0.44) ITKTP53MAPK1KDM4ENPC1
SCHEMBL6499400 0.88 RAB9A (0.48) ITKMEN1KMT2ATP53MAPK1
SCHEMBL6499042 0.87 KDM4E (0.49) ITKMEN1KMT2ATP53MAPK1
SCHEMBL6507522 0.87 NPC1 (0.47) ITKTP53MAPK1KDM4ENPC1
SCHEMBL6505547 0.87 IRAK4 (0.53) ITKMEN1KMT2ATP53MAPK1
SCHEMBL6507219 0.86 ITK (0.44) ITKTP53MAPK1KDM4ENPC1
SCHEMBL6497388 0.85 KDM4E (0.53) ITKMEN1KMT2ATP53MAPK1

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 PLA2G10 3391/4885PLA2G2A 2691/4885ITK 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.