SCHEMBL18094514

SCHEMBL18094514

O=C(Nc1nc(-c2ccccn2)ns1)c1ccc(OC(F)(F)F)cc1F

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.45
▸ TLR7 Q9NYK1 1/20 0.41
▸ MAPT P10636 3/20 0.41
▸ NOX1 Q9Y5S8 1/20 0.41
▸ GRM5 P41594 1/20 0.41
▸ ADORA3 P0DMS8 5/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ RUNX1 Q01196 1/20 0.40
▸ CBFB Q13951 1/20 0.40
▸ MPL P40238 1/20 0.40
▸ GRM1 Q13255 1/20 0.39
▸ PDE2A O00408 2/20 0.39
▸ SCN9A Q15858 1/20 0.39
▸ ABL1 P00519 2/20 0.39
▸ KDM4A O75164 1/20 0.38
▸ KDM4B O94953 1/20 0.38
▸ KDM5B Q9UGL1 1/20 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
SCHEMBL18094527 0.88 MAPT (0.51) MAPTADORA3SMN1; SMN2
SCHEMBL18094572 0.86 MAPT (0.53) THRBMAPTGRM5ADORA3SMN1; SMN2
SCHEMBL18094494 0.86 TLR7 (0.54) TLR7ADORA3MPLGRM1KDM4A
SCHEMBL18094584 0.83 MAPT (0.53) THRBMAPTADORA3SMN1; SMN2MPL
SCHEMBL18805810 0.82 MPL (0.52) THRBMAPTADORA3MPLGRM1
SCHEMBL18094537 0.80 ADORA3 (0.53) TLR7MAPTADORA3ABL1
SCHEMBL16718776 0.79 PTGES (0.51) THRBMAPTADORA3SMN1; SMN2MPL
SCHEMBL18230271 0.79 NOX1 (0.40) THRBTLR7MAPTNOX1ADORA3
SCHEMBL18805807 0.79 POLB (0.42) THRBMAPTADORA3MPL
SCHEMBL18094569 0.77 ADORA3 (0.47) THRBMAPTADORA3SMN1; SMN2MPL

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-20170202849-A1 ANTIPARASITIC COMPOUNDS AVISTA PHARMA SOLUTIONS, INC. 2017-07-20 — — US claimed
US-9643963-B2 Antiparasitic compounds AVISTA PHARMA SOLUTIONS, INC. (US) 2017-05-09 — — US claimed
US-20160280700-A1 ANTIPARASITIC COMPOUNDS SNAPDRAGON CHEMISTRY, INC. 2016-09-29 — — US claimed

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-20160280700-A1 ANTIPARASITIC COMPOUNDS TPP2, TPP1, SERPINB1 THRB 3491/4885TLR7 4537/4885MAPT 2921/4885
US-20170202849-A1 ANTIPARASITIC COMPOUNDS TPP2, TPP1, SERPINB1 THRB 3491/4885TLR7 4537/4885MAPT 2921/4885

“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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