SCHEMBL3087872

SCHEMBL3087872

COc1[c]c(N(C)C)ccc1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
APP P05067 2/20 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
SCHEMBL2242134 0.81 KDM4E (0.38) KDM4EALDH1A1
SCHEMBL57641 0.78 ALDH1A1 (0.41) KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL28053412 0.76 ALDH1A1 (0.39) KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL27938619 0.76 ALDH1A1 (0.39) KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL27720358 0.76 ALDH1A1 (0.39) KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL27266457 0.74 ALDH1A1 (0.38) KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL18705611 0.71 HTR7 (0.36) ALDH1A1SMN1; SMN2
SCHEMBL455316 0.70
SCHEMBL8656230 0.70 KDM4E (0.31) KDM4E
SCHEMBL29160711 0.70 SMN1; SMN2 (0.35) KDM4EALDH1A1MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115850329-A Cycloterpyriaryl phosphines, their preparation and use 东莞市均成高新材料有限公司 2023-03-28 CN claimed
CN-115385956-A Biaryl diphosphine ligands and transition metal complexes thereof 东莞市均成高新材料有限公司 2022-11-25 CN claimed
CN-110240616-B Tribiaryl monophosphine ligands, methods for their preparation and use in catalytic coupling reactions 东莞市均成高新材料有限公司 2021-03-23 CN claimed
CN-115385956-A Biaryl diphosphine ligands and transition metal complexes thereof 东莞市均成高新材料有限公司 2022-11-25 CN disclosed
CN-110240616-B Tribiaryl monophosphine ligands, methods for their preparation and use in catalytic coupling reactions 东莞市均成高新材料有限公司 2021-03-23 CN disclosed
EP-2164833-B1 Quinazolinamide derivatives useful for the treatment of tumour diseases MERCK PATENT GMBH (DE) 2015-04-15 EP disclosed
US-8501754-B2 Quinazolinamide derivatives MERCK PATENT GMBH (DE) 2013-08-06 US disclosed
US-20100234324-A1 Quinazolinamide derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-16 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-20100234324-A1 Quinazolinamide derivatives HSP90AB1, HSP90AA1, HSP90AB2P KDM4E 3277/4885ALDH1A1 1776/4885MAPK1 1105/4885

“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.