SCHEMBL18094567

SCHEMBL18094567

O=C(Nc1nc(-c2cc(N3CCOCC3)ccn2)ns1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 6/20 0.56
▸ RAF1 P04049 4/20 0.56
▸ BRAF P15056 4/20 0.56
▸ MAPT P10636 1/20 0.49
▸ STAT3 P40763 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ HDAC1 Q13547 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ BTK Q06187 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ MTOR P42345 2/20 0.44

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
SCHEMBL18094518 0.92 MPL (0.46) LRRK2RAF1BRAFMAPTBTK
SCHEMBL18094454 0.89 SMN1; SMN2 (0.49) LRRK2RAF1BRAFMAPTSMN1; SMN2
SCHEMBL18094547 0.86 LRRK2 (0.57) LRRK2MAPTSTAT3SMN1; SMN2BTK
SCHEMBL18094557 0.81 MAPT (0.53) MAPT
SCHEMBL18230422 0.81 LRRK2 (0.56) LRRK2RAF1BRAFMAPTSTAT3
SCHEMBL18094468 0.81 LRRK2 (0.60) LRRK2MAPTSMN1; SMN2HDAC1ALDH1A1
SCHEMBL18094462 0.80 HTR2A (0.44) LRRK2RAF1BRAFMAPTSTAT3
SCHEMBL18094492 0.79 GCK (0.42) LRRK2RAF1BRAFMAPT
SCHEMBL18094532 0.77 TRPV1 (0.45) MAPTSTAT3HDAC1
SCHEMBL18094543 0.77 ADORA3 (0.39) LRRK2MAPT

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 3698/4885RAF1 4599/4885BRAF 4713/4885
US-20170202849-A1 ANTIPARASITIC COMPOUNDS TPP2, TPP1, SERPINB1 LRRK2 3698/4885RAF1 4599/4885BRAF 4713/4885

“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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