SCHEMBL874110

SCHEMBL874110

Oc1nc2ccccc2nc1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.67
KDM4E B2RXH2 5/20 0.50
PKM P14618 1/20 0.50
MAPT P10636 5/20 0.48
L3MBTL1 Q9Y468 3/20 0.44
ALDH1A1 P00352 6/20 0.41
KMT2A Q03164 4/20 0.41
GAA P10253 4/20 0.41
NPSR1 Q6W5P4 4/20 0.41
RAB9A P51151 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
LMNA P02545 2/20 0.39

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
SCHEMBL29450004 0.81 MAPT (0.62) TDP1KDM4EMAPTL3MBTL1ALDH1A1
SCHEMBL11038905 0.81 MAPT (0.62) TDP1KDM4EMAPTL3MBTL1ALDH1A1
SCHEMBL29451077 0.81 TDP1 (1.00) TDP1KDM4EPKMMAPTL3MBTL1
SCHEMBL116696 0.81 TDP1 (1.00) TDP1KDM4EPKMMAPTL3MBTL1
SCHEMBL382385 0.81 MAPT (0.62) TDP1KDM4EMAPTL3MBTL1ALDH1A1
SCHEMBL9078409 0.76 NQO2 (0.46) TDP1KDM4EPKMMAPTALDH1A1
SCHEMBL11206926 0.75 TDP1 (0.75) TDP1KDM4EPKMMAPTL3MBTL1
Bicarbonate SCHEMBL10870596 0.75 TDP1 (0.75) TDP1KDM4EPKMMAPTL3MBTL1
SCHEMBL1560774 0.74 ALDH1A1 (0.39) TDP1KDM4EMAPTALDH1A1KMT2A
SCHEMBL9157834 0.73 TDP1 (0.71) TDP1KDM4EPKMMAPTL3MBTL1

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 71 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100345831-C Prepn process of high purity 2, 6-dichloro quinoxaline WU YONGHU (CN) 2007-10-31 CN claimed
CN-1772742-A Prepn process of high purity 2, 6-dichloro quinoxaline WU YONGHU (CN) 2006-05-17 CN claimed
EP-2086982-B1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2018-08-29 EP disclosed
EP-2268285-B1 THERAPEUTIC COMPOUNDS MERCK SHARP & DOHME (US) 2018-06-27 EP disclosed
EP-2268285-B1 THERAPEUTIC COMPOUNDS MERCK SHARP & DOHME (US) 2018-06-27 EP disclosed
EP-2805726-B1 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARM INC (US) 2018-05-02 EP disclosed
US-9738661-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-22 US disclosed
US-9309279-B2 Macrocyclic hepatitis C serine protease inhibitors ABBVIE INC. (US) 2016-04-12 US disclosed
US-20150266897-A1 HCV NS3 Protease Inhibitors MSD ITALIA S.R.L. (IT) 2015-09-24 US disclosed
EP-2880033-A1 CYCLIC UREA- OR LACTAM-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND THE USES THEREOF Purdue Pharma LP (US) 2015-06-10 EP disclosed
EP-2459582-B1 HEPATITIS C VIRUS NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2015-05-27 EP disclosed
WO-2008057209-A1 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2008-05-15 WO disclosed
CN-100345831-C Prepn process of high purity 2, 6-dichloro quinoxaline WU YONGHU (CN) 2007-10-31 CN disclosed
US-20070244103-A1 Novel Compounds Having an Anti-Bacterial Activity MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2007-10-18 US disclosed
EP-1781650-A1 NOVEL COMPOUNDS HAVING AN ANTI-BACTERIAL ACTIVITY Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2007-05-09 EP disclosed
CN-1772742-A Prepn process of high purity 2, 6-dichloro quinoxaline WU YONGHU (CN) 2006-05-17 CN disclosed
WO-2006021448-A1 NOVEL COMPOUNDS HAVING AN ANTI-BACTERIAL ACTIVITY Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2006-03-02 WO disclosed
WO-1991001977-A1 PROCESS FOR PREPARING 2,6-DICHOLOROQUINOXALINE HOECHST AKTIENGESELLSCHAFT (DE) 1991-02-21 WO disclosed
US-4160834-A INSECTICIDES ELI LILLY AND COMPANY (US) 1979-07-10 US disclosed
US-4083977-A Novel insecticidal 1-(substituted benzoyl)-3-(substituted pyrazinyl)ureas ELI LILLY AND COMPANY (US) 1978-04-11 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 (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-20070244103-A1 Novel Compounds Having an Anti-Bacterial Activity TOP1, TOP2A, TOP2B TDP1 167/4885KDM4E 2755/4885PKM 3024/4885
US-20150266897-A1 HCV NS3 Protease Inhibitors HAVCR2, GTF3C3, CTSC TDP1 3107/4885KDM4E 2747/4885PKM 3621/4885

“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.