SCHEMBL19625399

SCHEMBL19625399

CN(C)Cc1cccc(-c2csc(C(C)(C)C)n2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATP4A P20648 2/20 0.59
▸ ATP4B P51164 2/20 0.59
▸ PRMT6 Q96LA8 1/20 0.48
▸ CNR2 P34972 1/20 0.46
▸ PARP1 P09874 2/20 0.41
▸ HTR7 P34969 2/20 0.41
▸ TSHR P16473 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ ACP1 P24666 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ COMT P21964 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ LTA4H P09960 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ S1PR1 P21453 1/20 0.37
▸ EGFR P00533 1/20 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
SCHEMBL19625411 0.87 PRMT6 (0.46) ATP4AATP4BPRMT6CNR2TSHR
SCHEMBL12495744 0.82 ATP4A (0.67) ATP4AATP4BPRMT6HTR7TSHR
SCHEMBL19625383 0.79 SMN1; SMN2 (0.46) ATP4AATP4BPRMT6TSHRRECQL
SCHEMBL12868318 0.78 ATP4A (0.55) ATP4AATP4BPRMT6TSHRRECQL
SCHEMBL19625374 0.76 GFER (0.43) ATP4AATP4BPRMT6TSHRRECQL
SCHEMBL12293307 0.76 CYP19A1 (0.55) ATP4AATP4BTSHRRECQL
SCHEMBL19625319 0.76 MAPT (0.62) PRMT6TSHRRECQLCOMTL3MBTL1
SCHEMBL19625325 0.76 KDM4E (0.62) TSHRRECQLCOMTL3MBTL1MEN1
SCHEMBL799900 0.74 ALDH1A1 (0.55) ATP4AATP4BGFERLMNAMEN1
SCHEMBL19626766 0.74 GFER (0.56) TSHRGFERLMNAL3MBTL1MEN1

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-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 (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-20170334912-A1 Purine Diones As Wnt Pathway Modulators WNT1, WNT3A, CTNNB1 ATP4A 1734/4885ATP4B 1169/4885PRMT6 1600/4885

“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.

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