SCHEMBL6499400

SCHEMBL6499400

CCNC(=O)COc1cccc(-c2ccc(-n3cc(NC(N)=O)c(C(N)=O)n3)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 3/20 0.48
ITK Q08881 1/20 0.44
TP53 P04637 3/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPK10 P53779 2/20 0.40
RECQL P46063 1/20 0.40
ALDH1A1 P00352 5/20 0.40
TSHR P16473 2/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
IRAK4 Q9NWZ3 2/20 0.40
KMT2A Q03164 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
PLA2G1B P04054 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
SCHEMBL6508966 0.91 ITK (0.45) RAB9ASMN1; SMN2NPC1ITKTP53
SCHEMBL6500765 0.89 ITK (0.46) RAB9ASMN1; SMN2NPC1ITKTP53
SCHEMBL6499891 0.89 ITK (0.46) RAB9ASMN1; SMN2NPC1ITKTP53
SCHEMBL6499288 0.88 PLA2G10 (0.45) RAB9ASMN1; SMN2NPC1ITKTP53
SCHEMBL6507522 0.86 NPC1 (0.47) RAB9ASMN1; SMN2NPC1ITKTP53
SCHEMBL6470681 0.86 ITK (0.44) RAB9ASMN1; SMN2NPC1ITKTP53
SCHEMBL6505547 0.85 IRAK4 (0.53) RAB9ASMN1; SMN2NPC1ITKTP53
SCHEMBL6505640 0.83 RAB9A (0.47) RAB9ASMN1; SMN2NPC1TP53KMT2A
SCHEMBL6507219 0.82 ITK (0.44) RAB9ASMN1; SMN2NPC1ITKTP53
SCHEMBL6505457 0.82 ITK (0.48) ITKMAPK10ALDH1A1TSHRMAPT

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 RAB9A 2534/4885SMN1; SMN2 3519/4885NPC1 3546/4885

“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.