SCHEMBL4498608

SCHEMBL4498608

CCOC(=O)c1oc2cccnc2c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
MAPT P10636 2/20 0.53
KDM4E B2RXH2 5/20 0.50
AHR P35869 1/20 0.50
PLK1 P53350 1/20 0.48
HSD17B10 Q99714 2/20 0.46
ALDH1A1 P00352 2/20 0.45
BRD4 O60885 2/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 1/20 0.43
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42

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
SCHEMBL4854522 0.84 KDM4E (0.48) NPC1RAB9AMAPTKDM4EAHR
SCHEMBL845028 0.78 KDM4E (0.47) NPC1RAB9AMAPTKDM4EAHR
SCHEMBL16505027 0.77 KDM4E (0.46) NPC1RAB9AMAPTKDM4EAHR
SCHEMBL4775716 0.77 KDM4E (0.71) NPC1RAB9AMAPTKDM4EAHR
SCHEMBL12272847 0.76 KDM4E (0.44) NPC1RAB9AMAPTKDM4EAHR
SCHEMBL2565382 0.74 RAB9A (0.49) NPC1RAB9AMAPTKDM4EAHR
SCHEMBL2564883 0.72 BRAF (0.50) NPC1RAB9AMAPTKDM4EAHR
SCHEMBL2568718 0.72 BRAF (0.58) NPC1RAB9AMAPTKDM4EAHR
SCHEMBL1707915 0.72 HTT (0.46) NPC1MAPTKDM4EHSD17B10ALDH1A1
SCHEMBL1735750 0.71 ALDH1A1 (0.50) NPC1RAB9AMAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230416256-A1 SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE JANSSEN PHARAMCEUTICA NV (BE) 2023-12-28 US disclosed
EP-4244224-A1 SMALL MOLECULE INHIBITORS OF NF-KB INDUCING KINASE JANSSEN Pharmaceutica NV (BE) 2023-09-20 EP disclosed
WO-2022104348-A1 SMALL MOLECULE INHIBITORS OF NF-KB INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2022-05-19 WO disclosed
US-20200223837-A1 BENZOFURAN AMIDES AND HETEROAROMATIC ANALOGUES THEREOF FOR USE IN THERAPY EUROPEAN MOLECULAR BIOLOGY LABORATORY (DE) 2020-07-16 US disclosed
US-20200223837-A1 BENZOFURAN AMIDES AND HETEROAROMATIC ANALOGUES THEREOF FOR USE IN THERAPY EUROPEAN MOLECULAR BIOLOGY LABORATORY (DE) 2020-07-16 US disclosed
EP-3638664-A1 BENZOFURAN AMIDES AND HETEROAROMATIC ANALOGUES THEREOF FOR USE IN THERAPY European Molecular Biology Laboratory (DE) 2020-04-22 EP disclosed
WO-2018229193-A1 BENZOFURAN AMIDES AND HETEROAROMATIC ANALOGUES THEREOF FOR USE IN THERAPY EUROPEAN MOLECULAR BIOLOGY LABORATORY (DE) 2018-12-20 WO disclosed
US-7759372-B2 Nitrogen-containing heteroaryl compounds having inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2010-07-20 US disclosed
US-7544693-B2 Spirofuropyridine aryl derivatives ASTRAZENECA AB (SE) 2009-06-09 US disclosed
US-7456192-B2 3β-amino azabicyclooctane heteroaromatic amid derivatives preparation method and therapeutic uses thereof PIERRE FABRE MEDICAMENT (FR) 2008-11-25 US disclosed
US-20070072887-A1 Spirofuropyridine aryl derivatives ASTRAZENECA AB (SE) 2007-03-29 US disclosed
WO-2006119820-A1 AGENTS FOR DYEING KERATIN-BASED FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-11-16 WO disclosed
EP-1678183-A1 SPIROFUROPYRIDINE ARYL DERIVATIVES AstraZeneca AB (SE) 2006-07-12 EP disclosed
EP-1440075-B1 NOVEL 3BETA-AMINO AZABICYCLOOCTANE HETEROAROMATIC AMIDE DERIVATIVES, PREPARATION METHOD AND THERAPEUTIC USES THEREOF PF MEDICAMENT (FR) 2005-06-08 EP disclosed
WO-2005042538-A1 SPIROFUROPYRIDINE ARYL DERIVATIVES ASTRAZENECA AB (SE) 2005-05-12 WO disclosed
US-20050080085-A1 Novel 3beta-amino azabicyclooctane heteroaromatic amid derivatives preparation method and therapeutic uses thereof PIERRE FABRE MEDICAMENT (FR) 2005-04-14 US disclosed
EP-1440075-A1 NOVEL 3BETA-AMINO AZABICYCLOOCTANE HETEROAROMATIC AMIDE DERIVATIVES, PREPARATION METHOD AND THERAPEUTIC USES THEREOF PIERRE FABRE MEDICAMENT (FR) 2004-07-28 EP disclosed
WO-2003037904-A1 NOVEL 3BETA-AMINO AZABICYCLOOCTANE HETEROAROMATIC AMIDE DERIVATIVES, PREPARATION METHOD AND THERAPEUTIC USES THEREOF PIERRE FABRE MEDICAMENT (FR) 2003-05-08 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 (4 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-20050080085-A1 Novel 3beta-amino azabicyclooctane heteroaromatic amid derivatives preparation method and therapeutic uses thereof AOC3, MAOB, AOC1 NPC1 2179/4885RAB9A 859/4885MAPT 4210/4885
US-20070072887-A1 Spirofuropyridine aryl derivatives REN, ADRA1D, ADRB1 NPC1 638/4885RAB9A 990/4885MAPT 3670/4885
US-20230416256-A1 SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE NFKBIA, IKBKB, NFRKB NPC1 1078/4885RAB9A 3077/4885MAPT 1668/4885
US-20200223837-A1 BENZOFURAN AMIDES AND HETEROAROMATIC ANALOGUES THEREOF FOR USE IN THERAPY SUCNR1, CBR1, CYP2A13 NPC1 2134/4885RAB9A 4764/4885MAPT 2012/4885

“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.