SCHEMBL18094531

SCHEMBL18094531

O=C(Nc1nc(-c2ccc(N3CCC(O)CC3)cn2)ns1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DEGS1 O15121 2/20 0.44
▸ LRRK2 Q5S007 1/20 0.43
▸ MPL P40238 4/20 0.42
▸ MCHR1 Q99705 3/20 0.42
▸ MAPT P10636 2/20 0.41
▸ NOTUM Q6P988 1/20 0.40
▸ STAT3 P40763 2/20 0.39
▸ TNIK Q9UKE5 1/20 0.39
▸ PAK1 Q13153 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HRH4 Q9H3N8 1/20 0.38
▸ HRH3 Q9Y5N1 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
SCHEMBL18094571 0.91 LRRK2 (0.46) DEGS1LRRK2MPLMCHR1MAPT
SCHEMBL18094563 0.90 LRRK2 (0.45) DEGS1LRRK2MPLMCHR1MAPT
SCHEMBL18094562 0.88 MAOB (0.45) DEGS1LRRK2MPLMCHR1MAPT
SCHEMBL18094555 0.88 SMN1; SMN2 (0.52) LRRK2MAPTSTAT3SMN1; SMN2
SCHEMBL18094547 0.88 LRRK2 (0.57) LRRK2MAPTSTAT3SMN1; SMN2
SCHEMBL18094509 0.83 GPR119 (0.47) LRRK2MAPTSMN1; SMN2
SCHEMBL18094484 0.82 PTGS1 (0.51) DEGS1MPLMCHR1MAPTSTAT3
SCHEMBL16718785 0.79 LMNA (0.53) DEGS1MPLMAPTSTAT3
SCHEMBL18094534 0.78 LMNA (0.55) DEGS1MAPTSTAT3
SCHEMBL18094576 0.78 ADORA3 (0.54) DEGS1MAPTSTAT3

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 6 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
US-20170202849-A1 ANTIPARASITIC COMPOUNDS AVISTA PHARMA SOLUTIONS, INC. 2017-07-20 — — US disclosed
US-9643963-B2 Antiparasitic compounds AVISTA PHARMA SOLUTIONS, INC. (US) 2017-05-09 — — US disclosed
US-20160280700-A1 ANTIPARASITIC COMPOUNDS SNAPDRAGON CHEMISTRY, INC. 2016-09-29 — — 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 (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 DEGS1 2160/4885LRRK2 3698/4885MPL 598/4885
US-20170202849-A1 ANTIPARASITIC COMPOUNDS TPP2, TPP1, SERPINB1 DEGS1 2160/4885LRRK2 3698/4885MPL 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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