SCHEMBL4051803

SCHEMBL4051803

CCOC(=O)c1cc2ccccn2n1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 10/20 0.65
MAPT P10636 6/20 0.65
KDM4E B2RXH2 2/20 0.59
HSD17B10 Q99714 2/20 0.59
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
POLB P06746 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
LMNA P02545 1/20 0.52
PKM P14618 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51

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
SCHEMBL25252763 0.84 MAPT (0.51) TP53MAPTKDM4EHSD17B10NPC1
SCHEMBL4869136 0.83 TP53 (0.67) TP53MAPTKDM4EHSD17B10NPC1
SCHEMBL30896072 0.81 DRD2 (0.47) TP53MAPTKDM4EHSD17B10POLB
SCHEMBL12060476 0.80 TP53 (0.58) TP53MAPTKDM4EHSD17B10NPC1
SCHEMBL25887632 0.80 MAPT (0.48) TP53MAPTKDM4EHSD17B10POLB
SCHEMBL25308572 0.79 MAPT (0.45) TP53MAPTKDM4EHSD17B10POLB
SCHEMBL25306362 0.79 MAPT (0.47) TP53MAPTKDM4EHSD17B10POLB
SCHEMBL31056351 0.78 DRD2 (0.46) TP53MAPTKDM4EHSD17B10NPC1
SCHEMBL7381473 0.78 TP53 (0.62) TP53MAPTKDM4EHSD17B10NPC1
SCHEMBL3816519 0.77 ALDH1A1 (0.46) TP53MAPTKDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10646494-B2 Heterocycle-substituted tetracyclic compounds and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2020-05-12 US disclosed
EP-2096923-B1 HETEROARYL AMIDE DERIVATIVES LUNDBECK & CO AS H (DK) 2014-01-22 EP disclosed
US-20130172549-A1 Heteroaryl amide derivatives H. LUNDBECK A/S (DK) 2013-07-04 US disclosed
US-20130172549-A1 Heteroaryl amide derivatives H. LUNDBECK A/S (DK) 2013-07-04 US disclosed
EP-2591675-A1 Heteroaryl amide derivatives H. Lundbeck A/S (DK) 2013-05-15 EP disclosed
US-8431593-B2 Heteroaryl amide derivatives H. LUNDBECK A/S (DK) 2013-04-30 US disclosed
US-8431593-B2 Heteroaryl amide derivatives H. LUNDBECK A/S (DK) 2013-04-30 US disclosed
US-20100216763-A1 Heteroaryl Amide Derivatives H. LUNDBECK A/S (DK) 2010-08-26 US disclosed
WO-2009029625-A1 4- [HETEROCYCLYL-METHYL] -8-FLUORO-QUINOLIN-2-ONES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS, INC. (US) 2009-03-05 WO disclosed
WO-2009029625-A1 4- [HETEROCYCLYL-METHYL] -8-FLUORO-QUINOLIN-2-ONES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS, INC. (US) 2009-03-05 WO disclosed
WO-2008066789-A2 HETEROARYL AMIDE DERIVATIVES H. LUNDBECK A/S (DK) 2008-06-05 WO disclosed
US-5525480-A USED FOR DETERMINATION OF HYDROLASES; COLORIMETRIC ANALYSIS BOEHRINGER MANNHEIM GMBH (DE) 1996-06-11 US disclosed
US-5457200-A Oxidative coupling reactions for determination of hydrogen peroxide BOEHRINGER MANNHEIM (DE) 1995-10-10 US disclosed
US-5334505-A For colorimetric determination of hydrolases BOEHRINGER MANNHEIM GMBH (DE) 1994-08-02 US disclosed
US-5234818-A Detecting hydrogen peroxide, peroxidase by oxidative coupling with electron-rich aromatic compound BOEHRINGER MANNHEIM GMBH (DE) 1993-08-10 US disclosed
EP-0231244-A1 6-ALKYLIDENE PENEMS BEECHAM GROUP PLC (GB) 1987-08-12 EP disclosed
WO-1987000525-A1 6-ALKYLIDENE PENEMS BEECHAM GROUP P.L.C. (GB) 1987-01-29 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-10646494-B2 Heterocycle-substituted tetracyclic compounds and methods of use thereof for the treatment of viral diseases HAVCR2, HCCS, ZC3HAV1 TP53 700/4885MAPT 4258/4885KDM4E 3735/4885
US-20100216763-A1 Heteroaryl Amide Derivatives HCAR2, PIGS, GPR52 TP53 2708/4885MAPT 4321/4885KDM4E 3851/4885
US-20130172549-A1 Heteroaryl amide derivatives HCAR2, PIGS, GPR52 TP53 2708/4885MAPT 4321/4885KDM4E 3851/4885

“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.