SCHEMBL16291393

SCHEMBL16291393

O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(Oc2ccc(C(=O)Nc3nc(-c4ccccn4)cs3)cc2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 9/20 0.83
KDM4A O75164 4/20 0.81
KDM4B O94953 4/20 0.81
KDM5B Q9UGL1 4/20 0.81
GRM1 Q13255 1/20 0.76
KDM4E B2RXH2 3/20 0.71
MAPT P10636 3/20 0.71
MEN1 O00255 2/20 0.71
ALDH1A1 P00352 2/20 0.71
HTT P42858 2/20 0.71
KMT2A Q03164 2/20 0.71
KDM5C P41229 3/20 0.67
NPC1 O15118 2/20 0.63
MAPK1 P28482 2/20 0.63
RAB9A P51151 1/20 0.63
SLC2A1 P11166 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.61
USP2 O75604 1/20 0.61
ALOX15 P16050 1/20 0.61
LMNA P02545 1/20 0.61

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
SCHEMBL17716976 0.90 ADORA3 (0.76) ADORA3KDM4AKDM4BKDM5BGRM1
SCHEMBL31361484 0.88 ADORA3 (0.90) ADORA3KDM4AKDM4BKDM5BGRM1
SCHEMBL31361475 0.87 ADORA3 (0.81) ADORA3KDM4AKDM4BKDM5BGRM1
SCHEMBL18997292 0.86 GRM1 (1.00) ADORA3KDM4AKDM4BKDM5BGRM1
SCHEMBL18997305 0.86 ADORA3 (0.87) ADORA3KDM4AKDM4BKDM5BGRM1
SCHEMBL15183181 0.86 ADORA3 (0.72) ADORA3KDM4AKDM4BKDM5BGRM1
SCHEMBL17206089 0.84 ADORA3 (0.79) ADORA3KDM4AKDM4BKDM5BGRM1
SCHEMBL18230323 0.84 ADORA3 (0.79) ADORA3KDM4AKDM4BKDM5BGRM1
SCHEMBL16607180 0.83 KDM4E (1.00) ADORA3KDM4AKDM4BKDM5BGRM1
SCHEMBL15173521 0.83 ADORA3 (0.76) ADORA3KDM4AKDM4BKDM5BGRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10633369-B2 Method of inhibiting DYRK1B 4 SC AG (DE) 2020-04-28 US disclosed
US-20180201606-A1 METHOD OF INHIBITING DYRK1B 4 SC AG (DE) 2018-07-19 US disclosed
US-9951050-B2 Method of inhibiting DYRK1B 4 SC AG (DE) 2018-04-24 US disclosed
US-20140371251-A1 METHOD OF INHIBITING DYRK1B 4SC DISCOVERY GMBH (DE) 2014-12-18 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 (3 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-10633369-B2 Method of inhibiting DYRK1B SMO, GLI1, GRK2 ADORA3 1250/4885KDM4A 1538/4885KDM4B 1284/4885
US-20180201606-A1 METHOD OF INHIBITING DYRK1B SMO, GLI1, GRK2 ADORA3 1250/4885KDM4A 1538/4885KDM4B 1284/4885
US-20140371251-A1 METHOD OF INHIBITING DYRK1B SMO, GLI1, GRK2 ADORA3 1250/4885KDM4A 1538/4885KDM4B 1284/4885

“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.