SCHEMBL9769375

SCHEMBL9769375

CC(C)C(=O)Nc1ncc(C(=O)CBr)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
CDK5 Q00535 1/20 0.40
TSHR P16473 2/20 0.38
ADORA1 P30542 1/20 0.38
RECQL P46063 1/20 0.37
GSK3B P49841 2/20 0.37
CYP2C19 P33261 1/20 0.36
P2RX3 P56373 1/20 0.36
P2RX2 Q9UBL9 1/20 0.36
HTT P42858 2/20 0.36
ADORA2A P29274 1/20 0.36
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL9772954 0.80 ALDH1A1 (0.51) GSK3BCYP2C19LMNAALDH1A1MAPK1
SCHEMBL28416928 0.78 LMNA (0.38) CCNE1CDK2CDK5TSHRADORA1
SCHEMBL10588648 0.78 GSK3B (0.42) GSK3BPTPN1HDAC3HDAC1HDAC2
SCHEMBL9769380 0.78 CCNE1 (0.45) CCNE1CDK2CDK5TSHRADORA1
SCHEMBL9769158 0.76 CCNE1 (0.39) CCNE1CDK2CDK5TSHRADORA1
SCHEMBL28417557 0.74 NAMPT (0.38) CCNE1CDK2CDK5GSK3BLMNA
SCHEMBL9772916 0.74 SMN1; SMN2 (0.39) CCNE1CDK2CDK5TSHRADORA1
SCHEMBL17382567 0.73 ALDH1A1 (0.58) GSK3BCYP2C19HTTNPSR1ALDH1A1
SCHEMBL9769346 0.73 CDK5 (0.41) CCNE1CDK2CDK5TSHRADORA1
SCHEMBL20819348 0.73 ALDH1A1 (0.39) CCNE1CDK2CDK5TSHRADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12036210-B2 Heteroaryl substituted beta-hydroxyethylamines for use in treating hyperglycaemia ATROGI AB (SE) 2024-07-16 US disclosed
US-12036210-B2 Heteroaryl substituted beta-hydroxyethylamines for use in treating hyperglycaemia ATROGI AB (SE) 2024-07-16 US disclosed
EP-3681872-B1 HETEROARYL SUBSTITUTED BETA-HYDROXYETHYLAMINES FOR USE IN TREATING HYPERGLYCAEMIA ATROGI AB (SE) 2021-11-17 EP disclosed
CN-111315726-A Heteroaryl substituted β -hydroxyethylamines for the treatment of hyperglycemia 阿托基公司 2020-06-19 CN disclosed
WO-2019053427-A1 HETEROARYL SUBSTITUTED BETA-HYDROXYETHYLAMINES FOR USE IN TREATING HYPERGLYCAEMIA ATROGI AB (SE) 2019-03-21 WO disclosed
US-5030640-A Alpha-heterocyclic ethanolamino alkylindoles, growth promoters and feed efficiency agents for animals, bronchodilators, antidepressants, antiobesity agents MERCK & CO., INC. (US) 1991-07-09 US disclosed
US-5019578-A β-adrenergic agonists MERCK & CO., INC. (US) 1991-05-28 US disclosed
EP-0377488-A1 Novel beta-adrenergic agonists MERCK & CO. INC. (US) 1990-07-11 EP disclosed
EP-0318092-A2 Novel beta-adrenergic agonists MERCK & CO. INC. (US) 1989-05-31 EP disclosed
US-4816457-A HYPOTENSIVE AGENTS, BRONCHODILATORS, EYES MERCK & CO., INC., A CORP. OF NJ 1989-03-28 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 (1 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-12036210-B2 Heteroaryl substituted beta-hydroxyethylamines for use in treating hyperglycaemia SLC5A2, SLC5A1, GPR119 CCNE1 663/4885CDK2 1841/4885CDK5 2650/4885

“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.