SCHEMBL21981682

SCHEMBL21981682

CNc1ccc2nc(N3CCOCC3)sc2n1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.50
NPC1 O15118 6/20 0.50
SMN1; SMN2 Q16637 6/20 0.50
MAPT P10636 3/20 0.49
AR P10275 3/20 0.49
GAA P10253 2/20 0.49
MAOB P27338 1/20 0.46
TP53 P04637 2/20 0.44
USP2 O75604 1/20 0.44
PKM P14618 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
ALOX15 P16050 3/20 0.43
TSHR P16473 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ACACB O00763 1/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL16896509 0.78 HRH3 (0.60) RAB9ANPC1SMN1; SMN2MAPTAR
SCHEMBL21588424 0.78 NPC1 (0.54) RAB9ANPC1SMN1; SMN2MAPTAR
SCHEMBL29505280 0.78 HRH3 (0.60) RAB9ANPC1SMN1; SMN2MAPTAR
SCHEMBL21980774 0.73 RAB9A (0.54) RAB9ANPC1SMN1; SMN2MAPTAR
SCHEMBL21114860 0.72 SMN1; SMN2 (0.61) RAB9ANPC1SMN1; SMN2MAPTAR
SCHEMBL30681219 0.72 SMN1; SMN2 (0.61) RAB9ANPC1SMN1; SMN2MAPTAR
SCHEMBL27677940 0.71 PDE3B (0.52) RAB9ANPC1SMN1; SMN2MAPTGAA
SCHEMBL18202577 0.69 FGFR2 (0.53) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL12557878 0.69 MAOB (0.58) RAB9ANPC1SMN1; SMN2MAPTGAA
SCHEMBL21162585 0.69 SMN1; SMN2 (0.49) RAB9ANPC1SMN1; SMN2MAPTAR

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 2 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
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 3927/4885NPC1 1258/4885SMN1; SMN2 1090/4885
US-20230331740-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 RAB9A 4067/4885NPC1 1422/4885SMN1; 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.