SCHEMBL16595488

SCHEMBL16595488

Brc1ccc2cn(C3CC3)nc2c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.38
HTT P42858 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B13 Q7Z5P4 5/20 0.36
TLR8 Q9NR97 1/20 0.36
TYK2 P29597 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PABPC1 P11940 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NSD2 O96028 1/20 0.32
AHR P35869 1/20 0.32
HTR7 P34969 1/20 0.32
CYP2A6 P11509 1/20 0.31

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
SCHEMBL28738106 0.91 BACE1 (0.34) BACE1HTTCYP1A2CYP2C19HSD17B13
SCHEMBL31559923 0.89 IRAK4 (0.41) HTTMAPT
SCHEMBL29082025 0.89 TLR8 (0.48) TLR8
SCHEMBL19279754 0.89 BACE1 (0.33) BACE1HTTCYP1A2CYP2C19HSD17B13
SCHEMBL27230890 0.89 HSD17B13 (0.38) BACE1HTTCYP1A2CYP2C19HSD17B13
SCHEMBL27213907 0.89 HSD17B13 (0.38) BACE1HTTCYP1A2CYP2C19HSD17B13
SCHEMBL22849080 0.89 IRAK4 (0.41) BACE1HSD17B13TLR8TYK2
SCHEMBL22836722 0.89 IRAK4 (0.41) BACE1HSD17B13TLR8TYK2
SCHEMBL25912147 0.88 TLR8 (0.41) HTTTLR8
Hydrochloric Acid SCHEMBL30849268 0.87 HSD17B13 (0.37) BACE1HSD17B13TLR8TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250152564-A1 PROPYLENE KETONE-CONTAINING BIOINHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2025-05-15 US disclosed
CN-118574831-A Biological inhibitor containing acrylketone, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-08-30 CN disclosed
US-11834449-B2 TYK2 inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-12-05 US disclosed
US-11834449-B2 TYK2 inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-12-05 US disclosed
WO-2023143514-A1 PROPYLENE KETONE-CONTAINING BIOINHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海翰森生物医药科技有限公司 2023-08-03 WO disclosed
EP-3912977-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BioMarin Pharmaceutical Inc. (US) 2021-11-24 EP disclosed
EP-3046920-B1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARM INC (US) 2021-08-04 EP disclosed
WO-2020112937-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2020-06-04 WO disclosed
US-20160229830-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2016-08-11 US disclosed
US-20160229830-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2016-08-11 US disclosed
WO-2015042397-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2015-03-26 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 (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-11834449-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 BACE1 4408/4885HTT 1087/4885CYP1A2 3935/4885
US-20160229830-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES GBA1, UGCG, GBA2 BACE1 569/4885HTT 1455/4885CYP1A2 1700/4885
US-20250152564-A1 PROPYLENE KETONE-CONTAINING BIOINHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF CYP51A1, HSD17B7, CYP46A1 BACE1 506/4885HTT 3303/4885CYP1A2 168/4885

“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.