SCHEMBL18094485

SCHEMBL18094485

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

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 14/20 0.56
RXFP1 Q9HBX9 1/20 0.53
KDM4A O75164 1/20 0.51
KDM4B O94953 1/20 0.51
KDM5B Q9UGL1 1/20 0.51
MAPT P10636 4/20 0.50
POLB P06746 1/20 0.50
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
GRM1 Q13255 1/20 0.49
SMN1; SMN2 Q16637 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
SCHEMBL18094502 0.89 ADORA3 (0.71) ADORA3MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL16718868 0.89 ADORA3 (0.69) ADORA3RXFP1KDM4AKDM4BKDM5B
SCHEMBL18094504 0.86 ADORA3 (0.68) ADORA3RXFP1KDM4AKDM4BKDM5B
SCHEMBL16718839 0.86 ADORA3 (0.63) ADORA3RXFP1KDM4AKDM4BKDM5B
SCHEMBL18094483 0.86 TRPV1 (0.60) ADORA3RXFP1KDM4AKDM4BKDM5B
SCHEMBL18094553 0.85 LMNA (0.59) ADORA3RXFP1KDM4AKDM4BKDM5B
SCHEMBL16718766 0.85 ADORA3 (0.69) ADORA3RXFP1KDM4AKDM4BKDM5B
SCHEMBL18094533 0.85 ADORA3 (0.69) ADORA3RXFP1KDM4AKDM4BKDM5B
SCHEMBL18094461 0.85 GRM1 (0.67) ADORA3RXFP1KDM4AKDM4BKDM5B
SCHEMBL18094471 0.85 ADORA3 (0.58) ADORA3RXFP1KDM4AKDM4BKDM5B

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 648/4885RXFP1 4100/4885KDM4A 4052/4885
US-20170202849-A1 ANTIPARASITIC COMPOUNDS TPP2, TPP1, SERPINB1 ADORA3 648/4885RXFP1 4100/4885KDM4A 4052/4885

“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.