SCHEMBL19625508

SCHEMBL19625508

CCOc1ccc(-c2csc(C(C)(C)C)n2)c(N2CCCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTT P42858 1/20 0.41
PDE1B Q01064 5/20 0.40
PDE1A P54750 4/20 0.39
PDE1C Q14123 2/20 0.39
CDC25A P30304 2/20 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
SCHEMBL19626519 0.87 HTT (0.54) MEN1KMT2AMAPTCYP1A2CYP2D6
SCHEMBL19625512 0.82 ALDH1A1 (0.41) MEN1KMT2AMAPTCYP1A2CYP2C19
SCHEMBL19625509 0.80 AR (0.43) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL19625334 0.80 EIF4E (0.47) MEN1KMT2AMAPTTP53CYP3A4
SCHEMBL4530178 0.77 MEN1 (0.45) MEN1KMT2AMAPTCYP1A2CYP2D6
SCHEMBL17626017 0.77 MEN1 (0.45) MEN1KMT2AMAPTCYP1A2CYP2D6
SCHEMBL19625333 0.77 KMT2A (0.43) MEN1KMT2AMAPTNPC1TP53
SCHEMBL19625455 0.74 MEN1 (0.43) MEN1KMT2AMAPTNPC1TP53
SCHEMBL19625424 0.74 CDC25A (0.57) MEN1KMT2AMAPTNPC1TP53
SCHEMBL19625470 0.72 TSHR (0.37) MEN1KMT2AMAPTCYP1A2CYP2D6

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 MEN1 4625/4885KMT2A 3504/4885MAPT 4783/4885
US-10472360-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 MEN1 4625/4885KMT2A 3504/4885MAPT 4783/4885

“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.