SCHEMBL19625510

SCHEMBL19625510

CC(C)(C)c1nc(-c2ccc(Cl)c(Cl)c2)c(N)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP3A4 P08684 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
BRAF P15056 4/20 0.42
PDE4A P27815 4/20 0.42
PDE4B Q07343 4/20 0.42
PDE4C Q08493 4/20 0.42
PDE4D Q08499 4/20 0.42
PKM P14618 1/20 0.42
RCE1 Q9Y256 1/20 0.42
RIPK2 O43353 1/20 0.41
DHFR P00374 1/20 0.41
ADORA1 P30542 2/20 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
SCHEMBL19625349 0.83 KDM4E (0.40) KDM4EALDH1A1CYP3A4HPGDALOX15
SCHEMBL19626668 0.80 KDM4E (0.48) KDM4EALDH1A1CYP3A4HPGDALOX15
SCHEMBL19625364 0.79 KDM4E (0.37) KDM4EALDH1A1CYP3A4HPGDALOX15
SCHEMBL21555625 0.79 ALDH1A1 (0.37) KDM4EALDH1A1CYP3A4HPGDALOX15
SCHEMBL15075737 0.79 KDM4E (0.61) KDM4EALDH1A1CYP3A4HPGDALOX15
SCHEMBL19625351 0.78 ALDH1A1 (0.48) KDM4EALDH1A1CYP3A4HPGDALOX15
SCHEMBL19625350 0.78 KDM4E (0.48) KDM4EALDH1A1CYP3A4HPGDALOX15
SCHEMBL19625528 0.77 KDM4E (0.39) KDM4EALDH1A1CYP3A4HPGDALOX15
SCHEMBL19625463 0.76 TRPV1 (0.39) KDM4EALDH1A1CYP3A4HPGDALOX15
SCHEMBL544867 0.76 ALDH1A1 (0.44) KDM4EALDH1A1CYP3A4HPGDMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10472360-B2 Purine diones as Wnt pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-11-12 US disclosed
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-11-23 US disclosed
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-11-23 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 (2 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-20170334912-A1 Purine Diones As Wnt Pathway Modulators WNT1, WNT3A, CTNNB1 KDM4E 3779/4885ALDH1A1 1166/4885CYP3A4 419/4885
US-10472360-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 KDM4E 3779/4885ALDH1A1 1166/4885CYP3A4 419/4885

“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.