SCHEMBL19783013

SCHEMBL19783013

O=C(Nc1ncccn1)Nc1nc(-c2ccccn2)cs1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 8/20 0.78
KDM4A O75164 1/20 0.69
KDM4B O94953 1/20 0.69
KDM5B Q9UGL1 1/20 0.69
SMN1; SMN2 Q16637 5/20 0.66
LMNA P02545 4/20 0.66
RAB9A P51151 3/20 0.66
NPC1 O15118 1/20 0.66
AGTR1 P30556 1/20 0.65
APOBEC3G Q9HC16 1/20 0.65
ALDH1A1 P00352 6/20 0.63
L3MBTL1 Q9Y468 4/20 0.63
MAPT P10636 7/20 0.62
HPGD P15428 1/20 0.62
SLC2A1 P11166 1/20 0.62
GRM1 Q13255 1/20 0.62
KDM4E B2RXH2 6/20 0.60
HTT P42858 5/20 0.60
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60

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
SCHEMBL2998083 0.84 ADORA3 (0.79) ADORA3KDM4AKDM4BKDM5BSMN1; SMN2
SCHEMBL23604906 0.84 ADORA3 (0.70) ADORA3KDM4AKDM4BKDM5BSMN1; SMN2
SCHEMBL4657817 0.83 ADORA3 (0.72) ADORA3KDM4AKDM4BKDM5BSMN1; SMN2
SCHEMBL17716927 0.83 ALDH1A1 (0.75) ADORA3KDM4AKDM4BKDM5BSMN1; SMN2
SCHEMBL18997288 0.83 ADORA3 (0.82) ADORA3KDM4AKDM4BKDM5BSMN1; SMN2
SCHEMBL22753424 0.83 ADORA3 (0.69) ADORA3KDM4AKDM4BKDM5BSMN1; SMN2
SCHEMBL11786433 0.82 ALDH1A1 (0.68) ADORA3KDM4AKDM4BKDM5BSMN1; SMN2
SCHEMBL14558342 0.80 CDK5 (0.71) ADORA3KDM4AKDM4BKDM5BSMN1; SMN2
SCHEMBL21241884 0.80 ALDH1A1 (0.68) ADORA3KDM4AKDM4BKDM5BSMN1; SMN2
SCHEMBL6368825 0.79 MAPT (0.74) ADORA3KDM4AKDM4BKDM5BSMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10913734-B2 Substituted aminothiazoles BARUCH S. BLUMBERG INSTITUTE 2021-02-09 US disclosed
US-10913734-B2 Substituted aminothiazoles BARUCH S. BLUMBERG INSTITUTE 2021-02-09 US disclosed
US-20190241552-A1 SUBSTITUTED AMINOTHIAZOLES BARUCH S. BLUMBERG INSTITUTE 2019-08-08 US disclosed
US-20190241552-A1 SUBSTITUTED AMINOTHIAZOLES BARUCH S. BLUMBERG INSTITUTE 2019-08-08 US disclosed
WO-2018013508-A1 SUBSTITUTED AMINOTHIAZOLES BARUCH S. BLUMBERG INSTITUTE (US) 2018-01-18 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-10913734-B2 Substituted aminothiazoles ABAT, AADAT, BCAT1 ADORA3 3568/4885KDM4A 1808/4885KDM4B 1968/4885
US-20190241552-A1 SUBSTITUTED AMINOTHIAZOLES ABAT, AADAT, BCAT1 ADORA3 3568/4885KDM4A 1808/4885KDM4B 1968/4885

“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.