SCHEMBL6504428

SCHEMBL6504428

COc1ccccc1CNC(=O)c1ccc(-c2ccc(-n3cc(NC(N)=O)c(C(N)=O)n3)cc2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.44
HPGD P15428 5/20 0.43
ALDH1A1 P00352 5/20 0.43
HTT P42858 2/20 0.43
GAA P10253 2/20 0.43
PKM P14618 1/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
KDM4E B2RXH2 2/20 0.43
RCE1 Q9Y256 1/20 0.43
PARP14 Q460N5 1/20 0.42
PARP10 Q53GL7 1/20 0.42
NLRP3 Q96P20 1/20 0.42
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
MAPT P10636 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
SCHEMBL6467963 0.90 LMNA (0.42) PDE10AHPGDALDH1A1GAAKMT2A
SCHEMBL6470160 0.86 HDAC1 (0.43) PDE10AKMT2AMEN1TP53THRB
SCHEMBL6467560 0.86 ROCK1 (0.46) HPGDALDH1A1KMT2AKDM4EROCK2
SCHEMBL6467657 0.86 KMT2A (0.44) ALDH1A1KMT2AROCK2
SCHEMBL6477607 0.85 HDAC1 (0.42) ALDH1A1HTTKMT2AMEN1KDM4E
SCHEMBL6470232 0.83 ALOX5AP (0.41) ALDH1A1KDM4ETP53MAPT
SCHEMBL6470445 0.83 CDC7 (0.46) PDE10AKMT2AROCK2TP53MAPT
SCHEMBL6468745 0.82 KMT2A (0.44) HPGDALDH1A1KMT2AMEN1KDM4E
SCHEMBL6467616 0.80 KIF11 (0.43) ALDH1A1KDM4ETP53MAPT
SCHEMBL6504083 0.79 AXL (0.41) HPGDALDH1A1HTTKMT2AMEN1

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 PDE10A 1622/4885HPGD 1845/4885ALDH1A1 846/4885

“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.