SCHEMBL18094492

SCHEMBL18094492

O=C(Nc1nc(-c2cc(OC3CCOCC3)ccn2)ns1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 4/20 0.42
▸ LRRK2 Q5S007 1/20 0.41
▸ GRM5 P41594 3/20 0.40
▸ RAF1 P04049 6/20 0.39
▸ BRAF P15056 4/20 0.39
▸ SYK P43405 2/20 0.38
▸ MCHR1 Q99705 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PDE4B Q07343 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
SCHEMBL18094543 0.91 ADORA3 (0.39) LRRK2GRM5MCHR1MAPT
SCHEMBL16718886 0.88 HTR1F (0.45) GCKBRAFSYKMAPT
SCHEMBL18094573 0.82 ADORA3 (0.53) MAPT
SCHEMBL18094567 0.79 LRRK2 (0.56) LRRK2RAF1BRAFMAPT
SCHEMBL18094540 0.79 MAPT (0.43) RAF1BRAFMAPT
SCHEMBL16718764 0.79 HTT (0.49) MAPT
SCHEMBL29999821 0.79 CYP2C9 (0.45) GRM5RAF1BRAFSYK
SCHEMBL22583109 0.79 CYP2C9 (0.45) GRM5RAF1BRAFSYK
SCHEMBL18094557 0.77 MAPT (0.53) MCHR1MAPT
SCHEMBL18094472 0.77 MPL (0.42) BRAFMAPT

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 GCK 2094/4885LRRK2 3698/4885GRM5 1788/4885
US-20170202849-A1 ANTIPARASITIC COMPOUNDS TPP2, TPP1, SERPINB1 GCK 2094/4885LRRK2 3698/4885GRM5 1788/4885

“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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