SCHEMBL21981950

SCHEMBL21981950

CNc1cnc2nc(N3CCOCC3)sc2c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.47
RAB9A P51151 8/20 0.47
SMN1; SMN2 Q16637 8/20 0.47
NPC1 O15118 6/20 0.47
MAPT P10636 4/20 0.45
TP53 P04637 2/20 0.45
USP2 O75604 1/20 0.45
PKM P14618 1/20 0.45
GAA P10253 2/20 0.44
AR P10275 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KCNH2 Q12809 2/20 0.39

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
SCHEMBL21154511 0.80 HRH3 (0.62) HRH3RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL21154514 0.80 HRH3 (0.62) HRH3RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL16896317 0.80 HRH3 (0.62) HRH3RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL16896365 0.74 ALDH1A1 (0.50) HRH3RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL21980774 0.74 RAB9A (0.54) HRH3RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL29505352 0.73 HRH3 (0.46) HRH3RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL16896463 0.73 HRH3 (0.46) HRH3RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL30429435 0.73 RAB9A (0.54) RAB9ASMN1; SMN2NPC1MAPTTP53
SCHEMBL24359039 0.73 SMN1; SMN2 (0.50) HRH3RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL20411732 0.73 RAB9A (0.41) 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 3 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-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 HRH3 2293/4885RAB9A 3927/4885SMN1; SMN2 1090/4885
US-20230331740-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 HRH3 2476/4885RAB9A 4067/4885SMN1; SMN2 1309/4885

“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.