SCHEMBL18094518

SCHEMBL18094518

O=C(Nc1nc(-c2cc(N3CCCC3)ccn2)ns1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MPL P40238 3/20 0.46
▸ BRAF P15056 4/20 0.45
▸ RAF1 P04049 2/20 0.45
▸ KDR P35968 1/20 0.45
▸ SRPK2 P78362 1/20 0.45
▸ SRPK1 Q96SB4 1/20 0.45
▸ SRPK3 Q9UPE1 1/20 0.45
▸ LRRK2 Q5S007 1/20 0.45
▸ MAPT P10636 2/20 0.45
▸ ADORA3 P0DMS8 1/20 0.41
▸ BTK Q06187 1/20 0.41
▸ USP36 Q9P275 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ LMNA P02545 1/20 0.39

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
SCHEMBL18094454 0.92 SMN1; SMN2 (0.49) MPLBRAFRAF1KDRSRPK1
SCHEMBL18094567 0.92 LRRK2 (0.56) BRAFRAF1LRRK2MAPTBTK
SCHEMBL18094571 0.85 LRRK2 (0.46) MPLKDRSRPK2SRPK1SRPK3
SCHEMBL18094563 0.84 LRRK2 (0.45) MPLKDRSRPK2SRPK1SRPK3
SCHEMBL18094557 0.83 MAPT (0.53) MPLMAPTADORA3LMNA
SCHEMBL18094510 0.80 HTR2A (0.48) KDR
SCHEMBL18094532 0.80 TRPV1 (0.45) MPLMAPTADORA3LMNA
SCHEMBL18230362 0.79 LRRK2 (0.45) BRAFRAF1KDRSRPK2SRPK1
SCHEMBL18094473 0.79 KDM4E (0.45) MPLMAPTADORA3KDM4ELMNA
SCHEMBL18094539 0.79 ADORA3 (0.58) MPLMAPTADORA3USP36MEN1

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 MPL 598/4885BRAF 4713/4885RAF1 4599/4885
US-20170202849-A1 ANTIPARASITIC COMPOUNDS TPP2, TPP1, SERPINB1 MPL 598/4885BRAF 4713/4885RAF1 4599/4885

“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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