SCHEMBL16718893

SCHEMBL16718893

O=C(Nc1nc(-c2ccccn2)ns1)c1ccc2ccccc2c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.58
RAB9A P51151 5/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
ADORA3 P0DMS8 10/20 0.53
SIRT2 Q8IXJ6 3/20 0.52
KDM4E B2RXH2 1/20 0.50
DEGS1 O15121 1/20 0.49
KDM4A O75164 1/20 0.49
KDM4B O94953 1/20 0.49
KDM5B Q9UGL1 1/20 0.49
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL18094487 0.90 ADORA3 (0.48) NPC1RAB9AMEN1KMT2AADORA3
SCHEMBL16718868 0.87 ADORA3 (0.69) NPC1RAB9AADORA3KDM4AKDM4B
SCHEMBL16718802 0.86 ADORA3 (0.69) MEN1KMT2AADORA3KDM4AKDM4B
SCHEMBL18094585 0.86 NPC1 (0.54) NPC1RAB9AMEN1KMT2AADORA3
SCHEMBL18094504 0.85 ADORA3 (0.68) MEN1KMT2AADORA3KDM4AKDM4B
SCHEMBL16718839 0.85 ADORA3 (0.63) NPC1RAB9AADORA3KDM4AKDM4B
SCHEMBL18094505 0.84 NPC1 (0.58) NPC1RAB9AMEN1KMT2AADORA3
SCHEMBL16718844 0.84 ADORA3 (0.68) NPC1MEN1KMT2AADORA3KDM4E
SCHEMBL18094466 0.84 LMNA (0.56) NPC1RAB9AMEN1KMT2AADORA3
SCHEMBL16718766 0.84 ADORA3 (0.69) NPC1RAB9AMEN1KMT2AADORA3

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 11 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-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-9643963-B2 Antiparasitic compounds AVISTA PHARMA SOLUTIONS, INC. (US) 2017-05-09 US disclosed
EP-3082821-A1 ANTIPARASITIC COMPOUNDS Avista Pharma Solutions, Inc. (US) 2016-10-26 EP disclosed
US-20160280700-A1 ANTIPARASITIC COMPOUNDS SNAPDRAGON CHEMISTRY, INC. 2016-09-29 US disclosed
US-20160280700-A1 ANTIPARASITIC COMPOUNDS SNAPDRAGON CHEMISTRY, INC. 2016-09-29 US disclosed
WO-2015073797-A1 ANTIPARASITIC COMPOUNDS SCYNEXIS INC. (US) 2015-05-21 WO 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 NPC1 1220/4885RAB9A 2929/4885MEN1 3320/4885
US-20170202849-A1 ANTIPARASITIC COMPOUNDS TPP2, TPP1, SERPINB1 NPC1 1220/4885RAB9A 2929/4885MEN1 3320/4885

“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.