SCHEMBL1127910

SCHEMBL1127910

NNC(=O)c1cc(Cl)ccc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 1.00
KDM4E B2RXH2 2/20 0.72
MAPT P10636 2/20 0.72
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
HPGD P15428 1/20 0.60
CYP2C19 P33261 1/20 0.60
TP53 P04637 1/20 0.59
ERCC5 P28715 1/20 0.56
FEN1 P39748 1/20 0.56
JAK2 O60674 1/20 0.56
JAK1 P23458 1/20 0.56
TYK2 P29597 1/20 0.56
FLT1 P17948 1/20 0.56
FLT4 P35916 1/20 0.56
KDR P35968 1/20 0.56
LMNA P02545 2/20 0.54
POLB P06746 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54

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
SCHEMBL10560904 0.86 ALDH1A1 (0.75) ALDH1A1KDM4EMAPTCYP1A2CYP3A4
SCHEMBL1127878 0.84 KDM4E (1.00) ALDH1A1KDM4EMAPTCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL21381943 0.82 KDM4E (0.96) ALDH1A1KDM4EMAPTHPGDERCC5
SCHEMBL1544647 0.82 ALDH1A1 (0.70) ALDH1A1KDM4EMAPTLMNAL3MBTL1
SCHEMBL1095186 0.82 ALDH1A1 (0.70) ALDH1A1KDM4EMAPTCYP3A4LMNA
SCHEMBL9072340 0.82 ALDH1A1 (0.70) ALDH1A1KDM4EMAPTCYP1A2CYP3A4
SCHEMBL3277584 0.82 ALDH1A1 (0.70) ALDH1A1KDM4EMAPTHPGDTP53
SCHEMBL1929477 0.81 ALDH1A1 (0.68) ALDH1A1KDM4EMAPTLMNAPOLB
SCHEMBL15471930 0.81 ALDH1A1 (0.68) ALDH1A1KDM4EMAPTCYP1A2CYP3A4
SCHEMBL15471933 0.81 ALDH1A1 (0.68) ALDH1A1KDM4EMAPTCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10604523-B2 1-aryl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline derivatives JANSSEN PHARMACEUTICA NV (BE) 2020-03-31 US disclosed
EP-2723744-B1 1-ARYL-4-METHYL-[1,2,4]TRIAZOLO[4,3-a]QUINOXALINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2016-03-23 EP disclosed
US-20140147386-A1 1-ARYL-4-METHYL-[1,2,4]TRIAZOLO[4,3-a]QUINOXALINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2014-05-29 US disclosed
EP-2282999-B1 AMINO-QUINOXALINE AND AMINO-QUINOLINE COMPOUNDS FOR USE AS ADENOSINE A2A RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-05-21 EP disclosed
EP-2723744-A1 1-ARYL-4-METHYL-[1,2,4]TRIAZOLO[4,3-a]QUINOXALINE DERIVATIVES Janssen Pharmaceutica, N.V. (BE) 2014-04-30 EP disclosed
US-8415353-B2 Amino-quinoxaline and amino-quinoline compounds for use as adenosine A2a receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-04-09 US disclosed
WO-2013000924-A1 1-ARYL-4-METHYL-[1,2,4]TRIAZOLO[4,3-a]QUINOXALINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2013-01-03 WO disclosed
US-20110105513-A1 AMINO-QUINOXALINE AND AMINO-QUINOLINE COMPOUNDS FOR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2011-05-05 US disclosed
EP-2282999-A1 AMINO-QUINOXALINE AND AMINO-QUINOLINE COMPOUNDS FOR USE AS ADENOSINE A2A RECEPTOR ANTAGONISTS Schering Corporation (US) 2011-02-16 EP disclosed
WO-2009111442-A1 AMINO-QUINOXALINE AND AMINO-QUINOLINE COMPOUNDS FOR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2009-09-11 WO disclosed
US-5173492-A Bronchodilator agents KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-12-22 US disclosed
US-5120347-A Pre and postemergence ROHM AND HAAS COMPANY (US) 1992-06-09 US disclosed
US-5077405-A Condensation of corresponding phenylsulfonyl compound with condensation agent, cyanation, reduction HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-12-31 US disclosed
EP-0417790-A2 S-triazolo[3,4-i]purine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1991-03-20 EP disclosed
EP-0417653-A1 3-(1-Substituted-4-piperazinyl)-1H-indazoles, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-03-20 EP disclosed
US-4954503-A ANALGESIC, ANTIPSYCHOTIC AGENTS HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1990-09-04 US disclosed
US-4094906-A INSECTICIDES AND MITICIDES THE UPJOHN COMPANY (US) 1978-06-13 US disclosed
US-4017540-A INSECTICIDES, MITICIDES THE UPJOHN COMPANY (US) 1977-04-12 US disclosed
US-4008217-A HERBICIDE THE UPJOHN COMPANY (US) 1977-02-15 US disclosed
US-3932661-A Anthelmintic methods employing benzoyl chloride phenylhydrazones THE UPJOHN COMPANY (US) 1976-01-13 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 (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-20110105513-A1 AMINO-QUINOXALINE AND AMINO-QUINOLINE COMPOUNDS FOR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS ADORA2A, ADORA1, ADORA3 ALDH1A1 855/4885KDM4E 3727/4885MAPT 3548/4885
US-20140147386-A1 1-ARYL-4-METHYL-[1,2,4]TRIAZOLO[4,3-a]QUINOXALINE DERIVATIVES PDE2A, PDE12, PDE5A ALDH1A1 929/4885KDM4E 435/4885MAPT 2788/4885
US-10604523-B2 1-aryl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline derivatives PDE2A, PDE12, PDE5A ALDH1A1 938/4885KDM4E 442/4885MAPT 2758/4885

“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.