SCHEMBL6506715

SCHEMBL6506715

NC(=O)Nc1cn(-c2ccc(-c3ccc(C(=O)Nc4ccccn4)cc3)cc2)nc1C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.56
NPC1 O15118 8/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 1/20 0.48
F10 P00742 1/20 0.48
F2 P00734 1/20 0.45
KDM4E B2RXH2 4/20 0.44
LMNA P02545 4/20 0.44
MAPT P10636 3/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
CHRNA7 P36544 1/20 0.43
CHRNA10 Q9GZZ6 1/20 0.43
CHRNA9 Q9UGM1 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.42
PKM P14618 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL6507198 0.83 MAP4K4 (0.47) RAB9ANPC1SMN1; SMN2TP53KDM4E
SCHEMBL6505259 0.82 KDM4E (0.44) RAB9ANPC1SMN1; SMN2TP53KDM4E
SCHEMBL6497388 0.82 KDM4E (0.53) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL6470269 0.81 MAPT (0.44) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL6467418 0.80 IRAK4 (0.45) RAB9ANPC1SMN1; SMN2TP53KDM4E
SCHEMBL6506262 0.79 MAPK1 (0.51) MEN1KMT2A
SCHEMBL6498693 0.78 KDM4E (0.46) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL6500468 0.78 DGAT1 (0.45) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL6499042 0.78 KDM4E (0.49) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL6504415 0.77 KDM4E (0.50) RAB9ANPC1MEN1KMT2ASMN1; SMN2

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 2534/4885NPC1 3546/4885MEN1 4599/4885

“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.