SCHEMBL29829392

SCHEMBL29829392

[2H]C([2H])([2H])NC(=O)c1ccc(NC(=O)C2CC2)nc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.52
RAB9A P51151 6/20 0.52
ALDH1A1 P00352 2/20 0.52
TYK2 P29597 2/20 0.50
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.48
TP53 P04637 2/20 0.48
PKM P14618 2/20 0.48
MAPT P10636 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
DEGS1 O15121 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL29666324 1.00 NPC1 (0.52) NPC1RAB9AALDH1A1TYK2KMT2A
SCHEMBL32677813 0.90 TYK2 (0.43) NPC1RAB9AALDH1A1TYK2KMT2A
SCHEMBL31017468 0.84 MAP4K1 (0.47) DEGS1
SCHEMBL31017485 0.84 MAP4K1 (0.47) DEGS1
SCHEMBL31017395 0.84 MAP4K1 (0.47) DEGS1
SCHEMBL31287989 0.83 MAP4K1 (0.40) NPC1RAB9AALDH1A1TYK2KMT2A
SCHEMBL31287946 0.83 MAP4K1 (0.40) NPC1RAB9AALDH1A1TYK2KMT2A
SCHEMBL32677838 0.82 HCAR3 (0.49) NPC1RAB9AL3MBTL1
SCHEMBL30549436 0.81 HCAR3 (0.45) L3MBTL1
SCHEMBL29686685 0.81 KMT2A (0.54) NPC1RAB9AALDH1A1KMT2AMEN1

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
WO-2023213308-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF 苏州隆博泰药业有限公司 2023-11-09 WO claimed
US-20260055121-A1 TYK2 INHIBITORS AND USES THEREOF SUDO BIOSCIENCES LTD (GB) 2026-02-26 US disclosed
US-20250115597-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO LTD (CN) 2025-04-10 US disclosed
EP-4448514-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF Lynk Pharmaceuticals Co. Ltd. (CN) 2024-10-23 EP disclosed
CN-117083268-B Amino heteroaryl compounds and compositions 安锐生物医药科技(广州)有限公司 2024-07-30 CN disclosed
US-20240124448-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-04-18 US disclosed
EP-4308556-A1 AMINO HETEROARYL COMPOUNDS AND COMPOSITIONS Anrui Biomedical Technology (Guangzhou) Co., Ltd. (CN) 2024-01-24 EP disclosed
CN-117083268-A Amino heteroaryl compounds and compositions 安锐生物医药科技(广州)有限公司 2023-11-17 CN disclosed
WO-2023213308-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF 苏州隆博泰药业有限公司 2023-11-09 WO disclosed
WO-2023109954-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2023-06-22 WO disclosed
WO-2022193499-A1 AMINO HETEROARYL COMPOUNDS AND COMPOSITIONS ANRUI BIOMEDICAL TECHNOLOGY (GUANGZHOU) CO., LTD. (CN) 2022-09-22 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-20240124448-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF TYK2, JAK2, JAK1 NPC1 4269/4885RAB9A 2745/4885ALDH1A1 4805/4885
US-20250115597-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF TYK2, JAK2, JAK1 NPC1 4269/4885RAB9A 2745/4885ALDH1A1 4805/4885
US-20260055121-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, CSNK2A3, CSNK2B NPC1 4125/4885RAB9A 3995/4885ALDH1A1 4784/4885

“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.