SCHEMBL18094581

SCHEMBL18094581

O=C(Nc1nc(-c2ccccn2)ns1)c1cc(C(F)(F)F)cc(Cl)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP36 Q9P275 1/20 0.45
▸ ADORA3 P0DMS8 5/20 0.42
▸ THRB P10828 1/20 0.41
▸ TRPV1 Q8NER1 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ NR2E3 Q9Y5X4 1/20 0.40
▸ NCOR2 Q9Y618 1/20 0.40
▸ CBFB Q13951 1/20 0.40
▸ GRM1 Q13255 1/20 0.39
▸ TLR7 Q9NYK1 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL18094570 0.84 ADORA3 (0.50) USP36ADORA3TRPV1MAPTGRM1
SCHEMBL18094482 0.81 TRPV1 (0.60) ADORA3TRPV1GRM1TLR7RXFP1
SCHEMBL18094556 0.81 TLR7 (0.55) ADORA3TRPV1MAPTPOLBTLR7
SCHEMBL18094569 0.79 ADORA3 (0.47) ADORA3THRBNPC1RAB9ASMN1; SMN2
SCHEMBL16718776 0.79 PTGES (0.51) USP36ADORA3THRBNPC1RAB9A
SCHEMBL18230284 0.79 ADORA2A (0.39) ADORA3NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL16718818 0.78 ADORA3 (0.56) ADORA3NPC1RAB9ASMN1; SMN2TP53
SCHEMBL18805807 0.77 POLB (0.42) ADORA3THRBTP53MAPTMEN1
SCHEMBL16718802 0.76 ADORA3 (0.69) ADORA3MAPK1MEN1KMT2APOLB
SCHEMBL18094541 0.76 TRPV1 (0.54) ADORA3TRPV1GRM1TLR7RXFP1

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 USP36 3754/4885ADORA3 648/4885THRB 3491/4885
US-20170202849-A1 ANTIPARASITIC COMPOUNDS TPP2, TPP1, SERPINB1 USP36 3754/4885ADORA3 648/4885THRB 3491/4885

“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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