SCHEMBL6305012

SCHEMBL6305012

CCOc1cccnc1C(N)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
BRD4 O60885 1/20 0.47
GLA P06280 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 1/20 0.46
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.44
IKBKB O14920 1/20 0.43
PARP10 Q53GL7 1/20 0.43
ALDH1A1 P00352 3/20 0.43
GRM5 P41594 2/20 0.43
LMNA P02545 1/20 0.42
MCL1 Q07820 1/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GAA P10253 2/20 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
SCHEMBL29941277 1.00 MKNK1 (0.48) MKNK1MKNK2BRD4GLAL3MBTL1
SCHEMBL353286 0.87 MAPT (0.48) BRD4MEN1KMT2AHTTIKBKB
SCHEMBL11547887 0.86 KDM4E (0.51) L3MBTL1MEN1KMT2AHTTMAPK1
SCHEMBL28847591 0.86 MEN1 (0.49) MKNK1MKNK2BRD4GLAL3MBTL1
SCHEMBL4718408 0.85 USP2 (0.49) BRD4MEN1KMT2AMAPK1ALDH1A1
SCHEMBL126180 0.84 MEN1 (0.54) BRD4GLAL3MBTL1MEN1KMT2A
SCHEMBL3266308 0.84 LMNA (0.60) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL11546842 0.83 KMT2A (0.44) BRD4L3MBTL1KMT2AHTTALDH1A1
SCHEMBL15142659 0.83 SMN1; SMN2 (0.40) BRD4L3MBTL1TSHRPARP10ALDH1A1
Hydrochloric Acid SCHEMBL17028445 0.83 MEN1 (0.52) BRD4GLAL3MBTL1MEN1KMT2A

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
CN-111295382-B Bridged bicyclic compounds as farnesyl ester X receptor modulators 百时美施贵宝公司 2024-02-02 CN claimed
CN-111511731-B Olefin compounds as modulators of the farnesol X receptor 百时美施贵宝公司 2023-05-23 CN claimed
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor YOHANNES DANIEL (US) 2004-06-10 US claimed
EP-1325006-A2 HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABA A? RECEPTOR NEUROGEN CORPORATION (US) 2003-07-09 EP claimed
US-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor PFIZER INC 2003-06-05 US claimed
WO-2002012442-A2 HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABAA RECEPTOR NEUROGEN CORPORATION (US) 2002-02-14 WO claimed
CN-114502158-A IRAK degradation agent and application thereof 凯麦拉医疗公司 2022-05-13 CN disclosed
CN-113490668-A Compounds and compositions for treating diseases associated with APJ receptor activity 安娜普尔纳生物股份有限公司 2021-10-08 CN disclosed
EP-3860998-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY Annapurna Bio Inc. (US) 2021-08-11 EP disclosed
WO-2020073011-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY ANNAPURNA BIO, INC. (US) 2020-04-09 WO disclosed
CN-109422675-A A kind of New Style Monamine Oxidase Inhibition draws the synthetic method of shellfish amine 重庆师范大学 2019-03-05 CN disclosed
US-8969383-B2 Picolinamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-03-03 US disclosed
US-20140296237-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2014-10-02 US disclosed
US-8809380-B2 Picolinamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2014-08-19 US disclosed
US-20120142691-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. 2012-06-07 US disclosed
US-6949562-B2 Heterocyclic compounds as ligands of the GABAA receptor NEUROGEN CORPORATION (US) 2005-09-27 US disclosed
US-6653471-B2 Tricyclic heteroaromatic compounds containing pyrrole ring; central nervous system disorder treatment; side effect reduction NEUROGEN CORPORATION 2003-11-25 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 (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-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 MKNK1 3420/4885MKNK2 3270/4885BRD4 2430/4885
US-20120142691-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS CACNA1G, SCN3A, SCN5A MKNK1 3654/4885MKNK2 3749/4885BRD4 2273/4885
US-20140296237-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS CACNA1G, SCN3A, SCN5A MKNK1 3654/4885MKNK2 3749/4885BRD4 2273/4885
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 MKNK1 3420/4885MKNK2 3270/4885BRD4 2430/4885

“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.