SCHEMBL16600073

SCHEMBL16600073

Nc1cc(-c2cccs2)c(N)cc1-c1cccs1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.55
NPC1 O15118 3/20 0.50
RAB9A P51151 1/20 0.50
ATM Q13315 1/20 0.50
TDO2 P48775 1/20 0.50
ADORA2A P29274 2/20 0.46
ADORA1 P30542 2/20 0.46
PIM1 P11309 1/20 0.46
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 3/20 0.46
MAPT P10636 3/20 0.46
HPGD P15428 2/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 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
SCHEMBL28041068 0.91 KCNH2 (0.61) KCNH2NPC1RAB9AATMTDO2
SCHEMBL7800689 0.88 KCNH2 (0.46) KCNH2NPC1RAB9AATMTDO2
SCHEMBL7807583 0.88 KCNH2 (0.46) KCNH2NPC1RAB9AATMTDO2
Hydrochloric Acid SCHEMBL7808461 0.87 KCNH2 (0.44) KCNH2NPC1RAB9AATMTDO2
SCHEMBL7807604 0.84 RPS6KB2 (0.47) KCNH2NPC1RAB9AKDM4EALDH1A1
SCHEMBL6870781 0.83 KCNH2 (0.48) KCNH2NPC1RAB9AATMTDO2
SCHEMBL33847 0.83 KCNH2 (0.53) KCNH2NPC1RAB9AATMTDO2
Hydrochloric Acid SCHEMBL7800931 0.82 RPS6KB2 (0.46) KCNH2NPC1RAB9AKDM4EALDH1A1
SCHEMBL8234801 0.81 KCNH2 (0.72) KCNH2LTA4HHDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL6261430 0.81 KCNH2 (0.52) KCNH2NPC1RAB9AATMTDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113912804-B Construction method and application of electrochemical luminescence system based on extrapolation receptor type covalent organic framework 南昌大学 2023-03-14 CN claimed
CN-121914355-A Thiophene-modified copper cluster metal covalent organic framework material and application thereof in organic conversion of photocatalysis thioamide into thiadiazole 三峡大学 2026-04-24 CN disclosed
CN-113912804-B Construction method and application of electrochemical luminescence system based on extrapolation receptor type covalent organic framework 南昌大学 2023-03-14 CN disclosed
US-10840460-B2 Azaborinine derivatives, their synthesis and use in organic electronic devices FLEXENABLE LIMITED (GB) 2020-11-17 US disclosed
US-10840460-B2 Azaborinine derivatives, their synthesis and use in organic electronic devices FLEXENABLE LIMITED (GB) 2020-11-17 US disclosed
EP-3052506-B1 AZABORININE DERIVATIVES, THEIR SYNTHESIS AND USE IN ORGANIC ELECTRONIC DEVICES FLEXENABLE LTD (GB) 2020-06-03 EP disclosed
EP-3052506-B1 AZABORININE DERIVATIVES, THEIR SYNTHESIS AND USE IN ORGANIC ELECTRONIC DEVICES FLEXENABLE LTD (GB) 2020-06-03 EP disclosed
US-20160248014-A1 AZABORININE DERIVATIVES, THEIR SYNTHESIS AND USE IN ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2016-08-25 US disclosed
US-20160248014-A1 AZABORININE DERIVATIVES, THEIR SYNTHESIS AND USE IN ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2016-08-25 US disclosed
US-20160248014-A1 AZABORININE DERIVATIVES, THEIR SYNTHESIS AND USE IN ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2016-08-25 US disclosed
EP-3052506-A1 AZABORININE DERIVATIVES, THEIR SYNTHESIS AND USE IN ORGANIC ELECTRONIC DEVICES Merck Patent GmbH (DE) 2016-08-10 EP disclosed
CN-105814066-A Azaborinine derivatives, their synthesis and use in organic electronic devices 默克专利股份有限公司 2016-07-27 CN disclosed
WO-2015043722-A1 AZABORININE DERIVATIVES, THEIR SYNTHESIS AND USE IN ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-04-02 WO disclosed
WO-2015043722-A1 AZABORININE DERIVATIVES, THEIR SYNTHESIS AND USE IN ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-04-02 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 (2 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-10840460-B2 Azaborinine derivatives, their synthesis and use in organic electronic devices AZI2, NME2, ALKBH2 KCNH2 183/4885NPC1 4116/4885RAB9A 1152/4885
US-20160248014-A1 AZABORININE DERIVATIVES, THEIR SYNTHESIS AND USE IN ORGANIC ELECTRONIC DEVICES AZI2, NME2, ALKBH2 KCNH2 183/4885NPC1 4116/4885RAB9A 1152/4885

“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.