SCHEMBL21980774

SCHEMBL21980774

CNc1cc2sc(N3CCOCC3)nc2cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.54
SMN1; SMN2 Q16637 9/20 0.54
NPC1 O15118 8/20 0.54
MAPT P10636 5/20 0.54
TP53 P04637 3/20 0.54
USP2 O75604 2/20 0.54
PKM P14618 1/20 0.54
HPGD P15428 3/20 0.53
ALDH1A1 P00352 3/20 0.53
GAA P10253 2/20 0.53
TSHR P16473 2/20 0.53
HSD17B10 Q99714 2/20 0.53
ALOX15 P16050 1/20 0.53
AR P10275 1/20 0.53
HRH3 Q9Y5N1 1/20 0.47
HTT P42858 1/20 0.46
DUSP3 P51452 1/20 0.42
PTPN5 P54829 1/20 0.42
KMT2A Q03164 1/20 0.42
PTPN11 Q06124 1/20 0.42

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
SCHEMBL16896300 0.80 KCNH2 (0.62) RAB9ASMN1; SMN2NPC1MAPTTP53
SCHEMBL21588444 0.80 RAB9A (0.58) RAB9ASMN1; SMN2NPC1MAPTTP53
SCHEMBL9963514 0.77 RAB9A (0.74) RAB9ASMN1; SMN2NPC1MAPTTP53
SCHEMBL21981950 0.74 HRH3 (0.47) RAB9ASMN1; SMN2NPC1MAPTTP53
SCHEMBL21981682 0.73 RAB9A (0.50) RAB9ASMN1; SMN2NPC1MAPTTP53
SCHEMBL20101049 0.72 SMN1; SMN2 (0.59) RAB9ASMN1; SMN2NPC1MAPTTP53
SCHEMBL24330005 0.71 RAB9A (0.58) RAB9ASMN1; SMN2NPC1MAPTTP53
SCHEMBL24359019 0.71 SMN1; SMN2 (0.66) RAB9ASMN1; SMN2NPC1MAPTTP53
SCHEMBL21114767 0.70 RAB9A (0.76) RAB9ASMN1; SMN2NPC1MAPTTP53
SCHEMBL1656708 0.70 RAB9A (0.70) RAB9ASMN1; SMN2NPC1MAPTTP53

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-20230331740-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2023-10-19 US disclosed
EP-4252853-A2 COMPOUNDS AND COMPOSITIONS FOR TREATING HEMATOLOGICAL DISORDERS Aurigene Oncology Limited (IN) 2023-10-04 EP disclosed
EP-3600270-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING HEMATOLOGICAL DISORDERS AURIGENE ONCOLOGY LTD (IN) 2023-06-14 EP disclosed
US-10640517-B2 Bicyclic heterocyclyl derivatives as IRAK4 inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2020-05-05 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-10640517-B2 Bicyclic heterocyclyl derivatives as IRAK4 inhibitors IRAK4, IRAK3, IRAK1 RAB9A 3927/4885SMN1; SMN2 1090/4885NPC1 1258/4885
US-20230331740-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 RAB9A 4067/4885SMN1; SMN2 1309/4885NPC1 1422/4885

“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.