SCHEMBL5778713

SCHEMBL5778713

COC(=O)c1cc(-c2ccncc2)cnc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 3/20 0.60
AURKA O14965 1/20 0.57
TTK P33981 1/20 0.57
AURKB Q96GD4 1/20 0.57
INCENP Q9NQS7 1/20 0.57
PIK3C3 Q8NEB9 2/20 0.50
CYP46A1 Q9Y6A2 1/20 0.50
IKBKE Q14164 1/20 0.50
TBK1 Q9UHD2 1/20 0.50
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
NR4A2 P43354 1/20 0.47
GABRA1 P14867 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
GABRA2 P47869 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
SCHEMBL4876885 0.87 AXL (0.59) AXLPIK3C3ALDH1A1GAANR4A2
SCHEMBL5781938 0.86 NR4A2 (0.54) ALDH1A1KDM4ENR4A2GABRA1GABRG2
SCHEMBL12427703 0.84 SLC6A4 (0.49) AXLPIK3C3PIK3CA
SCHEMBL12427702 0.83 CFTR (0.48) AXLPIK3C3IKBKETBK1ALDH1A1
SCHEMBL11379519 0.82 AXL (0.60) AXLAURKATTKAURKBINCENP
SCHEMBL11386246 0.82 AXL (0.60) AXLAURKATTKAURKBINCENP
SCHEMBL3711387 0.80 AAK1 (0.45) AXLPIK3C3ALDH1A1KDM4ENR4A2
SCHEMBL5687509 0.80 AXL (0.52) AXLPIK3C3ALDH1A1KDM4EGAA
SCHEMBL12427707 0.78 SLC6A3 (0.57) AXLPIK3C3ALDH1A1PIK3CDPIK3CA
SCHEMBL29604147 0.77 CHRNA7 (0.47) PIK3C3PIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254904-B1 NOVEL PIPERIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME EISAI CO LTD (JP) 2006-05-24 EP disclosed
US-6784192-B2 NA+ CHANNEL INHIBITORY ACTION IS USEFUL FOR THERAPY AND PREVENTION FOR EXAMPLE, ARRHYTHMIA, VARIOUS NEURALGIAS AND ANALGESIC EISAI CO., LTD. (JP) 2004-08-31 US disclosed
US-20030220368-A1 Novel piperidine compouds and drugs containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2003-11-27 US disclosed
EP-1254904-A1 NOVEL PIPERIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-11-06 EP disclosed
US-4463008-A 2-Alkoxy-5-(pyridinyl)pyridines and cardiotonic use thereof STERLING DRUG INC. (US) 1984-07-31 US disclosed
EP-0109027-A1 Pyridine derivatives, process for their preparation and composition containing them STERLING DRUG INC. (US) 1984-05-23 EP 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-20030220368-A1 Novel piperidine compouds and drugs containing the same TRPV1, CACNA1D, KCND2 AXL 4859/4885AURKA 2019/4885TTK 3853/4885

“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.