SCHEMBL2586024

SCHEMBL2586024

CC(=O)C(N)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
ADRA2A P08913 1/20 0.48
ADRA2C P18825 1/20 0.48
HIF1A Q16665 1/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP2D6 P10635 1/20 0.48
SRC P12931 1/20 0.48
DPP4 P27487 2/20 0.48
F2 P00734 1/20 0.48
HPGD P15428 1/20 0.47
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
ALOX5 P09917 1/20 0.45
CTSD P07339 1/20 0.45

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
SCHEMBL11985509 1.00 LMNA (0.48) LMNAADRA2AADRA2CHIF1AKDM4E
SCHEMBL8279099 1.00 LMNA (0.48) LMNAADRA2AADRA2CHIF1AKDM4E
Hydrochloric Acid SCHEMBL3954994 0.98 ALDH1A1 (0.50) LMNAADRA2AADRA2CHIF1AKDM4E
Phenylglycine SCHEMBL28116072 0.86 CYP2D6 (0.50) LMNAADRA2AADRA2CHIF1AKDM4E
Acetic Acid SCHEMBL27430362 0.84 ALOX5 (0.46) LMNAADRA2AADRA2CHIF1AKDM4E
Phenylglycine SCHEMBL159420 0.82 CYP2D6 (0.56) LMNAKDM4ECYP2D6SRCDPP4
SCHEMBL946139 0.82 DPP4 (0.50) LMNAADRA2AADRA2CHIF1AKDM4E
SCHEMBL28363604 0.82 DPP4 (0.50) LMNAADRA2AADRA2CHIF1ACYP2D6
Phenylglycine SCHEMBL157180 0.82 CYP2D6 (0.56) LMNAKDM4ECYP2D6SRCDPP4
Phenylglycine SCHEMBL30559595 0.82 CYP2D6 (0.56) LMNAKDM4ECYP2D6SRCDPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363906-B1 HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF VERTEX PHARMA (US) 2015-07-15 EP claimed
US-6743791-B2 ANTICANCER AGENTS; ANTIINFLAMMATORY AGENTS VERTEX PHARMACEUTICALS INCORPORATED 2004-06-01 US claimed
EP-1363906-A2 HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-11-26 EP claimed
US-20030092714-A1 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2003-05-15 US claimed
WO-2002064586-A2 HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-08-22 WO claimed
US-20230227420-A1 PRODRUGS OF MDMA, MDA, AND DERIVATIVES THEREOF EMPATHBIO, INC. 2023-07-20 US disclosed
CN-111187176-B Method for preparing N-vinyl amide compound under catalysis of copper salt 浙江工业大学 2022-11-25 CN disclosed
WO-2021158869-A1 COMPOUNDS, COMPOSITIONS, METHODS FOR TREATING DISEASES AND NERVE DAMAGE, AND METHODS FOR PREPARING COMPOUNDS CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2021-08-12 WO disclosed
EP-3851447-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID BHI Limited Partnership (CA) 2021-07-21 EP disclosed
WO-2020110056-A1 COMPOUNDS USEFUL IN HIV THERAPY GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-06-04 WO disclosed
CN-111187176-A Method for preparing N-vinyl amide compound under catalysis of copper salt 浙江工业大学 2020-05-22 CN disclosed
CN-110627704-A Preparation method of bazedoxifene 艾瑞吉瑞股份公司 2019-12-31 CN disclosed
US-7253187-B2 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-07 US disclosed
US-20040229875-A1 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2004-11-18 US disclosed
CN-1298867-A Process for preparing alpha-amidophenylketone with optical activity AIKE PHARMACEUTICAL SCIENCE AN (CN) 2001-06-13 CN disclosed
US-6160128-A Tritioacetylating reagents and processes for preparation thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-12-12 US disclosed
EP-1054865-A1 FARNESYL TRANSFERASE INHIBITORS AstraZeneca UK Limited (GB) 2000-11-29 EP disclosed
WO-1999041235-A1 FARNESYL TRANSFERASE INHIBITORS ASTRAZENECA UK LIMITED (GB) 1999-08-19 WO disclosed
EP-0092239-A2 Oxazole derivatives, production and use thereof Takeda Chemical Industries, Ltd. (JP) 1983-10-26 EP disclosed
US-4069385-A FROM AN OLEFIN AND AN ORGANIC PEROXIDE WITH COPPER-SCHIFF BASE COMPEX AS CATALYST SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1978-01-17 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 (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-20230227420-A1 PRODRUGS OF MDMA, MDA, AND DERIVATIVES THEREOF COMT, PNMT, ABCB1 LMNA 2528/4885ADRA2A 394/4885ADRA2C 391/4885
US-20040229875-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAP2K2 LMNA 3326/4885ADRA2A 1155/4885ADRA2C 1174/4885
US-20030092714-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAP2K2 LMNA 3326/4885ADRA2A 1155/4885ADRA2C 1174/4885

“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.