SCHEMBL2154182

SCHEMBL2154182

NC(=O)CCc1c[nH]cn1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.46
MPO P05164 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
EGFR P00533 1/20 0.32
SRC P12931 1/20 0.32
NR4A2 P43354 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NEK2 P51955 1/20 0.30

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
SCHEMBL7357227 0.89 CAPN1 (0.40) CAPN1MPOPDE4APDE4BPDE4C
SCHEMBL16638617 0.83 CAPN1 (0.39) CAPN1
SCHEMBL16638619 0.83 CAPN1 (0.36) CAPN1
SCHEMBL216266 0.82 FFAR1 (0.39)
SCHEMBL6443420 0.82
SCHEMBL23094120 0.82 CAPN1 (0.35) CAPN1
SCHEMBL29354149 0.81 CAPN1 (0.33) CAPN1
SCHEMBL4458206 0.81 CAPN1 (0.30) CAPN1
Hydrochloric Acid SCHEMBL6625511 0.81 FFAR1 (0.38) KDM4E
SCHEMBL8227646 0.81 ALDH1A1 (0.38) PDE4APDE4BPDE4CPDE4DKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5155847-A None JP claimed
EP-3365334-B1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMA CO LTD (JP) 2024-07-17 EP claimed
US-11939321-B2 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2024-03-26 US claimed
WO-2023207875-A1 CDK INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS ONQUALITY PHARMACEUTICALS CHINA LTD. (CN) 2023-11-02 WO claimed
EP-2342194-A1 OXOAZETIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS Galderma Research & Development (FR) 2011-07-13 EP claimed
US-20090247559-A1 Benzofuropyrimidinones EXELIXIS, INC. (US) 2009-10-01 US claimed
US-6767906-B2 INHIBIT P34CDC2/CYCLIN BCDC13 KINASE AND PROTEIN TYROSINE KINASE PP60C-SRC AND CAN BE USED FOR TREATMENT OF HYPERPROLIFERATIVE DISEASES, FOR EXAMPLE CHEMOTHERAPY OF TUMOURS OR OSTEOPOROSIS. NOVARTIS AG (CH) 2004-07-27 US claimed
EP-1153024-B1 2-AMINO-6-ANILINO-PURINES AND THEIR USE AS MEDICAMENTS NOVARTIS AG (CH) 2004-04-28 EP claimed
EP-0874846-B1 PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 2003-04-02 EP claimed
JP-2002537300-A 2002-11-05 JP claimed
US-20020016329-A1 2-Amino-6-anilino-purines and their use as medicaments NOVARTIS AG (CH) 2002-02-07 US claimed
EP-1153024-A1 2-AMINO-6-ANILINO-PURINES AND THEIR USE AS MEDICAMENTS Novartis AG (CH) 2001-11-14 EP claimed
WO-2000049018-A1 2-AMINO-6-ANILINO-PURINES AND THEIR USE AS MEDICAMENTS NOVARTIS AG (CH) 2000-08-24 WO claimed
EP-0874846-A1 PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION Novartis AG (CH) 1998-11-04 EP claimed
WO-1997016452-A1 PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 1997-05-09 WO claimed
EP-0497835-A1 METHOD FOR TREATING HIV AND OTHER RETROVIRUSES AND COMPOUNDS USEFUL THEREFOR THE UPJOHN COMPANY (US) 1992-08-12 EP claimed
WO-1991006561-A1 METHOD FOR TREATING HIV AND OTHER RETROVIRUSES AND COMPOUNDS USEFUL THEREFOR THE UPJOHN COMPANY (US) 1991-05-16 WO claimed
EP-0332008-A2 Peptide-like aminoacid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1989-09-13 EP claimed
JP-5155847-A None JP disclosed
WO-1989010920-A1 RENIN INHIBITORY PEPTIDES CONTAINING A SUBSTITUTED PHENOXYACETYLE GROUP THE UPJOHN COMPANY (US) 1989-11-16 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 (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-11939321-B2 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 CAPN1 1847/4885MPO 4362/4885PDE4A 4415/4885
US-20020016329-A1 2-Amino-6-anilino-purines and their use as medicaments CDK14, CDK1, CCNB1 CAPN1 1801/4885MPO 4385/4885PDE4A 552/4885
US-20090247559-A1 Benzofuropyrimidinones F12, BRI3BP, BRD1 CAPN1 2992/4885MPO 3695/4885PDE4A 1011/4885

“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.