SCHEMBL16718802

SCHEMBL16718802

O=C(Nc1nc(-c2ccccn2)ns1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 10/20 0.69
MPL P40238 1/20 0.51
PIK3CD O00329 1/20 0.48
PIK3C2B O00750 1/20 0.48
AURKA O14965 1/20 0.48
PIK3C2G O75747 1/20 0.48
CDK1 P06493 1/20 0.48
CDK4 P11802 1/20 0.48
CCND1 P24385 1/20 0.48
CDK2 P24941 1/20 0.48
MAPK3 P27361 1/20 0.48
MAPK1 P28482 1/20 0.48
CCND3 P30281 1/20 0.48
MAPK4 P31152 1/20 0.48
PIK3CA P42336 1/20 0.48
PIK3CB P42338 1/20 0.48
PIK3CG P48736 1/20 0.48
CDK8 P49336 1/20 0.48
CDK7 P50613 1/20 0.48
CDK9 P50750 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
SCHEMBL16718818 0.90 ADORA3 (0.56) ADORA3KDM4AKDM4BKDM5BPOLB
SCHEMBL18094504 0.88 ADORA3 (0.68) ADORA3KDM4AKDM4BKDM5BKMT2A
SCHEMBL16718844 0.87 ADORA3 (0.68) ADORA3KMT2AMEN1
SCHEMBL16718893 0.86 NPC1 (0.58) ADORA3KDM4AKDM4BKDM5BKMT2A
SCHEMBL16718868 0.85 ADORA3 (0.69) ADORA3MPLKDM4AKDM4BKDM5B
SCHEMBL18094554 0.85 ADORA3 (0.51) ADORA3MPLKDM4AKDM4BKDM5B
SCHEMBL18094585 0.84 NPC1 (0.54) ADORA3KDM4AKDM4BKDM5BKMT2A
SCHEMBL16718839 0.83 ADORA3 (0.63) ADORA3MPLKDM4AKDM4BKDM5B
SCHEMBL18094496 0.83 TRPV4 (0.49) ADORA3KMT2AMEN1
SCHEMBL18094505 0.82 NPC1 (0.58) ADORA3KDM4AKDM4BKDM5BKMT2A

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 8 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
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
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 ADORA3 648/4885MPL 598/4885PIK3CD 2231/4885
US-20170202849-A1 ANTIPARASITIC COMPOUNDS TPP2, TPP1, SERPINB1 ADORA3 648/4885MPL 598/4885PIK3CD 2231/4885

“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.