SCHEMBL678484

SCHEMBL678484

Nc1ccc(NC(=O)C2CCCCC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.74
HPGD P15428 1/20 0.69
STS P08842 1/20 0.61
RAB9A P51151 2/20 0.61
EPHX1 P07099 1/20 0.61
GAA P10253 1/20 0.61
LMNA P02545 2/20 0.59
NPSR1 Q6W5P4 2/20 0.59
MAPT P10636 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
ALDH1A1 P00352 1/20 0.57
PTPN2 P17706 1/20 0.57
ENPP3 O14638 1/20 0.57
ENPP1 P22413 1/20 0.57
SIRT2 Q8IXJ6 1/20 0.57
HDAC3 O15379 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC2 Q92769 1/20 0.57
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56

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
SCHEMBL4448787 0.98 PTPN1 (0.71) PTPN1HPGDSTSRAB9AEPHX1
SCHEMBL23899043 0.91 NAMPT (0.67) PTPN1HPGDRAB9AEPHX1GAA
SCHEMBL116361 0.91 NAMPT (0.67) PTPN1HPGDRAB9AEPHX1GAA
SCHEMBL23898941 0.91 NAMPT (0.67) PTPN1HPGDRAB9AEPHX1GAA
SCHEMBL125695 0.91 PTPN1 (0.89) PTPN1HPGDSTSRAB9ALMNA
SCHEMBL28656982 0.91 PTPN1 (0.89) PTPN1HPGDSTSRAB9ALMNA
SCHEMBL11936021 0.87 PTPN1 (0.57) PTPN1HPGDSTSRAB9AEPHX1
SCHEMBL1785803 0.86 PTPN1 (0.74) PTPN1HPGDSTSRAB9ALMNA
SCHEMBL9851155 0.84 PTPN1 (0.77) PTPN1HPGDSTSRAB9AEPHX1
SCHEMBL29057710 0.84 PTPN1 (0.77) PTPN1HPGDSTSRAB9AEPHX1

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-20110269758-A1 NAPHTHYRIDINONES AS PROTEIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-11-03 US claimed
JP-2011526912-A 2011-10-20 JP claimed
EP-2291376-A2 NAPHTHYRIDININONES AS AURORA KINASE INHIBITORS Merck Patent GmbH (DE) 2011-03-09 EP claimed
EP-3749355-B1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX KINASE (\"NACK\") AND METHODS FOR USE OF THE SAME UNIV MIAMI (US) 2024-07-03 EP disclosed
CN-113621175-B Efficient isotactic polypropylene beta-crystal form nucleating agent and preparation method and application thereof 中国科学院化学研究所 2022-10-18 CN disclosed
CN-113621175-A Efficient isotactic polypropylene beta-crystal form nucleating agent and preparation method and application thereof 中国科学院化学研究所 2021-11-09 CN disclosed
US-20110269758-A1 NAPHTHYRIDINONES AS PROTEIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-11-03 US disclosed
US-20110269758-A1 NAPHTHYRIDINONES AS PROTEIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-11-03 US disclosed
EP-2291376-A2 NAPHTHYRIDININONES AS AURORA KINASE INHIBITORS Merck Patent GmbH (DE) 2011-03-09 EP disclosed
WO-2010002779-A2 NAPHTHYRIDININONES AS AURORA KINASE INHIBITORS MERCK SERONO S.A. (CH) 2010-01-07 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 (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-20110269758-A1 NAPHTHYRIDINONES AS PROTEIN KINASE INHIBITORS AURKA, AURKC, AURKB PTPN1 839/4885HPGD 2277/4885STS 4016/4885

“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.