SCHEMBL18094559

SCHEMBL18094559

O=C(Nc1nc(-c2cccc(-c3cccnc3)n2)ns1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 1/20 0.49
▸ ADORA3 P0DMS8 6/20 0.49
▸ EPHX2 P34913 3/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.47
▸ MAPT P10636 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ MPL P40238 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ ABL1 P00519 1/20 0.44
▸ BCR P11274 1/20 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
SCHEMBL18094538 0.89 ADORA3 (0.60) ADORA3RXFP1MAPTMEN1KMT2A
SCHEMBL18094552 0.81 MAPT (0.52) ADORA3RXFP1MAPTMPLLMNA
SCHEMBL18094482 0.80 TRPV1 (0.60) ADORA3RXFP1
SCHEMBL18094586 0.80 EPHX2 (0.55) EPHX2MEN1KMT2AMPLTSHR
SCHEMBL16718761 0.79 ADORA3 (0.57) ADORA3RXFP1MEN1KMT2AKDM4E
SCHEMBL18094561 0.78 ADORA3 (0.56) NTRK1ADORA3RXFP1MAPTMEN1
SCHEMBL18094484 0.78 PTGS1 (0.51) ADORA3RXFP1MAPTMPLLMNA
SCHEMBL18094539 0.77 ADORA3 (0.58) ADORA3RXFP1MAPTMEN1KMT2A
SCHEMBL16718836 0.75 ADORA3 (0.49) ADORA3RXFP1MAPTMPLLMNA
SCHEMBL18094541 0.75 TRPV1 (0.54) ADORA3RXFP1

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 NTRK1 4861/4885ADORA3 648/4885EPHX2 1037/4885
US-20170202849-A1 ANTIPARASITIC COMPOUNDS TPP2, TPP1, SERPINB1 NTRK1 4861/4885ADORA3 648/4885EPHX2 1037/4885

“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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