SCHEMBL18094584

SCHEMBL18094584

O=C(Nc1nc(-c2ccccn2)ns1)c1ccccc1OC(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.53
▸ TP53 P04637 3/20 0.49
▸ MPL P40238 1/20 0.47
▸ KCNK3 O14649 4/20 0.45
▸ KCNK9 Q9NPC2 4/20 0.45
▸ ADORA3 P0DMS8 2/20 0.44
▸ THRB P10828 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ SLC2A1 P11166 1/20 0.43
▸ GRM1 Q13255 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ KDM4A O75164 1/20 0.41
▸ KDM4B O94953 1/20 0.41
▸ KDM5B Q9UGL1 1/20 0.41
▸ CSNK1E P49674 2/20 0.41

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
SCHEMBL18805810 0.92 MPL (0.52) MAPTTP53MPLKCNK3KCNK9
SCHEMBL18805807 0.85 POLB (0.42) MAPTTP53MPLADORA3THRB
SCHEMBL18094527 0.85 MAPT (0.51) MAPTTP53ADORA3MEN1NPC1
SCHEMBL18094494 0.84 TLR7 (0.54) MPLADORA3GRM1KDM4AKDM4B
SCHEMBL18094569 0.84 ADORA3 (0.47) MAPTTP53MPLKCNK3KCNK9
SCHEMBL18094514 0.83 THRB (0.45) MAPTMPLADORA3THRBSMN1; SMN2
SCHEMBL18094554 0.83 ADORA3 (0.51) MAPTTP53MPLADORA3GRM1
SCHEMBL18094572 0.82 MAPT (0.53) MAPTTP53MPLADORA3THRB
SCHEMBL18094560 0.81 MAPT (0.59) MAPTTP53ADORA3THRBMEN1
SCHEMBL18378917 0.81 MPL (0.51) MAPTTP53MPLKCNK3KCNK9

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 MAPT 2921/4885TP53 4794/4885MPL 598/4885
US-20170202849-A1 ANTIPARASITIC COMPOUNDS TPP2, TPP1, SERPINB1 MAPT 2921/4885TP53 4794/4885MPL 598/4885

“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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