SCHEMBL19625328

SCHEMBL19625328

Cc1ccccc1-c1csc(C(C)(C)C)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 3/20 0.53
ATP4B P51164 3/20 0.53
C1S P09871 1/20 0.41
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
CCR4 P51679 1/20 0.40
IDO1 P14902 1/20 0.40
METAP2 P50579 1/20 0.40
SIRT5 Q9NXA8 1/20 0.39
MPL P40238 2/20 0.39
HSD17B10 Q99714 1/20 0.39
GRM2 Q14416 1/20 0.38
HRH1 P35367 1/20 0.38
MAPT P10636 3/20 0.37
KMT2A Q03164 3/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 0.37
ATM Q13315 2/20 0.37

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
SCHEMBL16274016 0.83 MPL (0.49) ATP4AATP4BCCR4MPL
SCHEMBL12293365 0.83 CYP19A1 (0.53) ATP4AATP4BMAPTKMT2ANPC1
SCHEMBL19625320 0.83 HSD17B10 (0.60) ATP4AATP4BIDO1MPLHSD17B10
SCHEMBL19625307 0.83 MPL (0.60) PDE3BPDE3AMPLGRM2HRH1
SCHEMBL19625327 0.80 CYP19A1 (0.57) ATP4AATP4BC1SMETAP2MAPT
SCHEMBL8698425 0.79 ATP4A (0.57) ATP4AATP4BC1SPDE3BPDE3A
SCHEMBL19625306 0.79 MAPT (0.55) CCR4MPLMAPTKMT2ANPC1
SCHEMBL19625331 0.79 MEN1 (0.52) CCR4MAPTKMT2ANPC1SMN1; SMN2
SCHEMBL799900 0.78 ALDH1A1 (0.55) ATP4AATP4BHSD17B10MAPTKMT2A
SCHEMBL3835119 0.78 HSD17B10 (0.62) ATP4AATP4BMPLHSD17B10MAPT

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 ATP4A 1734/4885ATP4B 1169/4885C1S 1023/4885
US-10472360-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 ATP4A 1734/4885ATP4B 1169/4885C1S 1023/4885

“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.