SCHEMBL18094547

SCHEMBL18094547

O=C(Nc1nc(-c2ccc(N3CCOCC3)cn2)ns1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 7/20 0.57
▸ MAPT P10636 5/20 0.52
▸ STAT3 P40763 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ HIF1A Q16665 2/20 0.46
▸ EPAS1 Q99814 2/20 0.46
▸ LMNA P02545 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ BTK Q06187 2/20 0.45
▸ AKR1C3 P42330 1/20 0.43

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
SCHEMBL18094571 0.91 LRRK2 (0.46) LRRK2MAPTSTAT3SMN1; SMN2LMNA
SCHEMBL18094563 0.90 LRRK2 (0.45) LRRK2MAPTSTAT3SMN1; SMN2LMNA
SCHEMBL18094562 0.89 MAOB (0.45) LRRK2MAPTSTAT3SMN1; SMN2
SCHEMBL18094555 0.89 SMN1; SMN2 (0.52) LRRK2MAPTSTAT3SMN1; SMN2BTK
SCHEMBL18094531 0.88 DEGS1 (0.44) LRRK2MAPTSTAT3SMN1; SMN2
SCHEMBL18094567 0.86 LRRK2 (0.56) LRRK2MAPTSTAT3SMN1; SMN2ALDH1A1
SCHEMBL18230388 0.84 LRRK2 (0.61) LRRK2MAPTSTAT3SMN1; SMN2HIF1A
SCHEMBL18094509 0.83 GPR119 (0.47) LRRK2MAPTSMN1; SMN2LMNABTK
SCHEMBL18094484 0.82 PTGS1 (0.51) MAPTSTAT3LMNA
SCHEMBL18094468 0.81 LRRK2 (0.60) LRRK2MAPTSMN1; SMN2ALDH1A1

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 LRRK2 3698/4885MAPT 2921/4885STAT3 4638/4885
US-20170202849-A1 ANTIPARASITIC COMPOUNDS TPP2, TPP1, SERPINB1 LRRK2 3698/4885MAPT 2921/4885STAT3 4638/4885

“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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