SCHEMBL18094471

SCHEMBL18094471

NC(=O)c1ccc(C(=O)Nc2nc(-c3ccccn3)ns2)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 13/20 0.58
KDM4A O75164 1/20 0.53
KDM4B O94953 1/20 0.53
KDM5B Q9UGL1 1/20 0.53
RXFP1 Q9HBX9 1/20 0.52
GRM1 Q13255 1/20 0.51
ADORA2A P29274 1/20 0.49
ADORA1 P30542 1/20 0.49
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MPL P40238 1/20 0.47

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
SCHEMBL16718868 0.91 ADORA3 (0.69) ADORA3KDM4AKDM4BKDM5BRXFP1
SCHEMBL18094504 0.89 ADORA3 (0.68) ADORA3KDM4AKDM4BKDM5BRXFP1
SCHEMBL16718839 0.89 ADORA3 (0.63) ADORA3KDM4AKDM4BKDM5BRXFP1
SCHEMBL18094525 0.88 ADORA3 (0.61) ADORA3KDM4AKDM4BKDM5BRXFP1
SCHEMBL18094533 0.88 ADORA3 (0.69) ADORA3KDM4AKDM4BKDM5BRXFP1
SCHEMBL16718766 0.88 ADORA3 (0.69) ADORA3KDM4AKDM4BKDM5BRXFP1
SCHEMBL18094461 0.88 GRM1 (0.67) ADORA3KDM4AKDM4BKDM5BRXFP1
SCHEMBL18094553 0.88 LMNA (0.59) ADORA3KDM4AKDM4BKDM5BRXFP1
SCHEMBL18094485 0.85 ADORA3 (0.56) ADORA3KDM4AKDM4BKDM5BRXFP1
SCHEMBL18094483 0.85 TRPV1 (0.60) ADORA3KDM4AKDM4BKDM5BRXFP1

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 ADORA3 648/4885KDM4A 4052/4885KDM4B 3358/4885
US-20170202849-A1 ANTIPARASITIC COMPOUNDS TPP2, TPP1, SERPINB1 ADORA3 648/4885KDM4A 4052/4885KDM4B 3358/4885

“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.