SCHEMBL18094487

SCHEMBL18094487

O=C(Nc1nc(-c2ccccn2)ns1)c1ccc2ccncc2c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 12/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 2/20 0.45
MPL P40238 1/20 0.45
KDM4A O75164 1/20 0.45
KDM4B O94953 1/20 0.45
KDM5B Q9UGL1 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
GRM1 Q13255 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
SIRT2 Q8IXJ6 2/20 0.43
NAMPT P43490 1/20 0.42

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
SCHEMBL16718893 0.90 NPC1 (0.58) ADORA3NPC1RAB9AMEN1KMT2A
SCHEMBL16718868 0.82 ADORA3 (0.69) ADORA3NPC1RAB9AMPLKDM4A
SCHEMBL18094585 0.81 NPC1 (0.54) ADORA3NPC1RAB9AMEN1KMT2A
SCHEMBL16718802 0.81 ADORA3 (0.69) ADORA3MEN1KMT2AMPLKDM4A
SCHEMBL16718761 0.80 ADORA3 (0.57) ADORA3NPC1RAB9AMEN1KMT2A
SCHEMBL18094504 0.80 ADORA3 (0.68) ADORA3MEN1KMT2AKDM4AKDM4B
SCHEMBL16718839 0.80 ADORA3 (0.63) ADORA3NPC1RAB9AMPLKDM4A
SCHEMBL16718844 0.80 ADORA3 (0.68) ADORA3NPC1MEN1KMT2AKDM4E
SCHEMBL18094485 0.80 ADORA3 (0.56) ADORA3MEN1KMT2AKDM4EKDM4A
SCHEMBL18094505 0.80 NPC1 (0.58) ADORA3NPC1RAB9AMEN1KMT2A

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 648/4885NPC1 1220/4885RAB9A 2929/4885
US-20170202849-A1 ANTIPARASITIC COMPOUNDS TPP2, TPP1, SERPINB1 ADORA3 648/4885NPC1 1220/4885RAB9A 2929/4885

“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.