SCHEMBL18094562

SCHEMBL18094562

O=C(Nc1nc(-c2ccc(N3CCNCC3)cn2)ns1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.45
▸ LRRK2 Q5S007 1/20 0.44
▸ MAPKAPK2 P49137 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ BRAF P15056 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ STAT3 P40763 2/20 0.39
▸ MPL P40238 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ P2RY14 Q15391 1/20 0.39
▸ DEGS1 O15121 2/20 0.39
▸ MCHR1 Q99705 1/20 0.39
▸ PTGS1 P23219 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) LRRK2MAPTSTAT3MPLSMN1; SMN2
SCHEMBL18094563 0.90 LRRK2 (0.45) LRRK2MAPTSTAT3MPLSMN1; SMN2
SCHEMBL18094547 0.89 LRRK2 (0.57) LRRK2MAPTSTAT3SMN1; SMN2
SCHEMBL18094555 0.89 SMN1; SMN2 (0.52) LRRK2MAPTKCNH2STAT3SMN1; SMN2
SCHEMBL18094531 0.88 DEGS1 (0.44) LRRK2MAPTSTAT3MPLSMN1; SMN2
SCHEMBL18094509 0.83 GPR119 (0.47) LRRK2MAPTSMN1; SMN2
SCHEMBL18094484 0.82 PTGS1 (0.51) MAPTSTAT3MPLDEGS1MCHR1
SCHEMBL18094536 0.82 MAPT (0.44) MAOBMAPTBRAFSTAT3MPL
SCHEMBL18094515 0.81 ADORA3 (0.48) LRRK2MAPKAPK2
SCHEMBL16718785 0.80 LMNA (0.53) MAPTSTAT3MPLDEGS1PTGS1

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 MAOB 788/4885LRRK2 3698/4885MAPKAPK2 3641/4885
US-20170202849-A1 ANTIPARASITIC COMPOUNDS TPP2, TPP1, SERPINB1 MAOB 788/4885LRRK2 3698/4885MAPKAPK2 3641/4885

“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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