SCHEMBL6501352

SCHEMBL6501352

NC(=O)Nc1cn(-c2ccc(-c3cccc(OCc4ccccn4)c3)cc2)nc1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.43
MAPK14 Q16539 8/20 0.42
SMO Q99835 8/20 0.42
ITK Q08881 1/20 0.42
GPR132 Q9UNW8 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
LDHA P00338 1/20 0.39
LCK P06239 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 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
SYK P43405 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
SCHEMBL6468668 0.87 ITK (0.42) ITKGPR132LCKHDAC1MRGPRX4
SCHEMBL6499891 0.85 ITK (0.46) ITKKDM4ENPC1ALDH1A1TP53
SCHEMBL6501607 0.85 ITK (0.41) ITKKDM4ENPC1ALDH1A1TP53
SCHEMBL6468743 0.85 SMPD1 (0.44) GPR132TYK2LCKIRAK4
SCHEMBL6499288 0.85 PLA2G10 (0.45) ITKKDM4ENPC1ALDH1A1TP53
SCHEMBL6500765 0.84 ITK (0.46) ITKLCKKDM4ENPC1ALDH1A1
SCHEMBL6505547 0.83 IRAK4 (0.53) ITKKDM4ENPC1ALDH1A1TP53
SCHEMBL6507219 0.83 ITK (0.44) ITKKDM4ENPC1ALDH1A1TP53
SCHEMBL6508966 0.82 ITK (0.45) ITKKDM4ENPC1ALDH1A1TP53
SCHEMBL6499042 0.82 KDM4E (0.49) ITKKDM4ENPC1ALDH1A1TP53

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 PARP10 2545/4885MAPK14 1669/4885SMO 3984/4885

“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.