SCHEMBL16896535

SCHEMBL16896535

Clc1ccc2sc(N3CCOCC3)nc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 10/20 0.54
RAB9A P51151 9/20 0.54
NPC1 O15118 7/20 0.54
MAPT P10636 4/20 0.52
ALOX15 P16050 3/20 0.51
AR P10275 3/20 0.49
GAA P10253 2/20 0.49
TP53 P04637 2/20 0.47
USP2 O75604 1/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TSHR P16473 2/20 0.46
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL29505379 1.00 SMN1; SMN2 (0.54) SMN1; SMN2RAB9ANPC1MAPTALOX15
SCHEMBL16896533 0.84 RAB9A (0.54) SMN1; SMN2RAB9ANPC1MAPTALOX15
SCHEMBL20398262 0.82 RAB9A (0.48) SMN1; SMN2RAB9ANPC1MAPTHPGD
SCHEMBL29855755 0.79 SMN1; SMN2 (0.51) SMN1; SMN2RAB9ANPC1MAPTALOX15
SCHEMBL29855600 0.78 SMN1; SMN2 (0.50) SMN1; SMN2RAB9ANPC1MAPTALOX15
SCHEMBL29505245 0.76 SMN1; SMN2 (0.61) SMN1; SMN2RAB9ANPC1MAPTALOX15
SCHEMBL16896582 0.76 SMN1; SMN2 (0.61) SMN1; SMN2RAB9ANPC1MAPTALOX15
SCHEMBL29505280 0.76 HRH3 (0.60) SMN1; SMN2RAB9ANPC1MAPTALOX15
SCHEMBL16896509 0.76 HRH3 (0.60) SMN1; SMN2RAB9ANPC1MAPTALOX15
SCHEMBL16896310 0.75 KMT2A (0.48) RAB9AGAAALDH1A1HSD17B10TSHR

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250361244-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS AURIGENE ONCOLOGY LTD (IN) 2025-11-27 US disclosed
US-12410193-B2 Bicyclic heterocyclyl derivatives as IRAK4 inhibitors AURIGENE ONCOLOGY LIMITED (IN) 2025-09-09 US disclosed
US-20240294547-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2024-09-05 US disclosed
US-11981685-B2 Bicyclic heterocyclyl derivatives as IRAK4 inhibitors AURIGENE ONCOLOGY LIMITED (IN) 2024-05-14 US disclosed
EP-4353324-A2 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS Aurigene Oncology Limited (IN) 2024-04-17 EP disclosed
US-20230391774-A1 Novel Compounds AC IMMUNE SA (CH) 2023-12-07 US disclosed
US-20230331740-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2023-10-19 US disclosed
CN-116568684-A Novel compounds AC免疫有限公司 2023-08-08 CN disclosed
US-11691987-B2 Bicyclic heterocyclyl derivatives as IRAK4 inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2023-07-04 US disclosed
WO-2022078971-A1 NOVEL COMPOUNDS AC IMMUNE SA (CH) 2022-04-21 WO disclosed
US-20180370988-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2018-12-27 US disclosed
EP-3094329-B1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS AURIGENE DISCOVERY TECH LTD (IN) 2018-09-26 EP disclosed
US-20180208605-A1 Substituted Aza Compounds as IRAK-4 Inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-07-26 US disclosed
EP-3322409-A1 SUBSTITUTED AZA COMPOUNDS AS IRAK-4 INHIBITORS Aurigene Discovery Technologies Limited (IN) 2018-05-23 EP disclosed
US-20180022758-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2018-01-25 US disclosed
US-9732095-B2 Bicyclic heterocyclyl derivatives as IRAK4 inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2017-08-15 US disclosed
WO-2017009806-A1 SUBSTITUTED AZA COMPOUNDS AS IRAK-4 INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2017-01-19 WO disclosed
US-20160340366-A1 BICYCLIC HETEROCYCLYL DERIVATES AS IRAK4 INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2016-11-24 US disclosed
EP-3094329-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS Aurigene Discovery Technologies Limited (IN) 2016-11-23 EP disclosed
WO-2015104688-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-07-16 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 (11 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-11691987-B2 Bicyclic heterocyclyl derivatives as IRAK4 inhibitors IRAK4, IRAK3, IRAK1 SMN1; SMN2 1090/4885RAB9A 3927/4885NPC1 1258/4885
US-20180208605-A1 Substituted Aza Compounds as IRAK-4 Inhibitors IRAK4, IRAK2, IRAK1 SMN1; SMN2 1924/4885RAB9A 2855/4885NPC1 1968/4885
US-20240294547-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 SMN1; SMN2 1309/4885RAB9A 4067/4885NPC1 1422/4885
US-11981685-B2 Bicyclic heterocyclyl derivatives as IRAK4 inhibitors IRAK4, IRAK3, IRAK1 SMN1; SMN2 1309/4885RAB9A 4067/4885NPC1 1422/4885
US-20160340366-A1 BICYCLIC HETEROCYCLYL DERIVATES AS IRAK4 INHIBITORS IRAK4, IRAK1, IRAK3 SMN1; SMN2 988/4885RAB9A 3739/4885NPC1 1097/4885
US-20180370988-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 SMN1; SMN2 1090/4885RAB9A 3927/4885NPC1 1258/4885
US-20180022758-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 SMN1; SMN2 1090/4885RAB9A 3927/4885NPC1 1258/4885
US-12410193-B2 Bicyclic heterocyclyl derivatives as IRAK4 inhibitors IRAK4, IRAK3, IRAK1 SMN1; SMN2 1309/4885RAB9A 4067/4885NPC1 1422/4885
US-20230331740-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 SMN1; SMN2 1309/4885RAB9A 4067/4885NPC1 1422/4885
US-20230391774-A1 Novel Compounds MAPT, PSEN2, PSEN1 SMN1; SMN2 497/4885RAB9A 1846/4885NPC1 195/4885
US-20250361244-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 SMN1; SMN2 1309/4885RAB9A 4067/4885NPC1 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.