SCHEMBL404516

SCHEMBL404516

Clc1ccc2nc(N3CCNCC3)c3nncn3c2c1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 9/20 0.74
HRH3 Q9Y5N1 3/20 0.74
KMT2A Q03164 2/20 0.64
KDM4E B2RXH2 2/20 0.64
HPGD P15428 2/20 0.64
ALDH1A1 P00352 1/20 0.64
HTT P42858 1/20 0.64
HSD17B10 Q99714 1/20 0.64
MAPT P10636 2/20 0.57
TP53 P04637 1/20 0.57
POLB P06746 1/20 0.55
MAPK1 P28482 1/20 0.55

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
SCHEMBL404413 0.95 HRH4 (0.69) HRH4HRH3KMT2AKDM4EHPGD
SCHEMBL10013927 0.88 HRH4 (0.78) HRH4HRH3KMT2AKDM4EHPGD
SCHEMBL404399 0.85 HRH4 (0.66) HRH4HRH3KMT2AKDM4EHPGD
SCHEMBL404201 0.85 HRH4 (0.76) HRH4HRH3KMT2AKDM4EHPGD
SCHEMBL405639 0.85 HRH4 (1.00) HRH4HRH3KMT2AKDM4EHPGD
SCHEMBL406069 0.85 HRH4 (0.70) HRH4HRH3KMT2AKDM4EHPGD
SCHEMBL404528 0.83 HRH4 (0.65) HRH4HRH3KMT2AKDM4EHPGD
SCHEMBL12224834 0.83 HRH4 (0.54) HRH4HRH3KMT2AKDM4EHPGD
SCHEMBL405468 0.83 HRH4 (0.71) HRH4HRH3KMT2AKDM4EHPGD
SCHEMBL404412 0.82 HRH4 (0.73) HRH4HRH3KMT2AKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
WO-2012012264-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF ALLERGY ALCON RESEARCH, LTD. (US) 2012-01-26 WO disclosed
US-20120015953-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF ALLERGY ALCON RESEARCH, LTD. 2012-01-19 US disclosed
US-20120015953-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF ALLERGY ALCON RESEARCH, LTD. 2012-01-19 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
WO-2011112731-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-15 WO disclosed
EP-2324029-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE Kalypsys, Inc. (US) 2011-05-25 EP disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
WO-2010030785-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS INC. (US) 2010-03-18 WO disclosed
US-4623725-A [1,2,4]Triazolo[4,3-a]quinoxaline-4-amine derivatives PFIZER INC. (US) 1986-11-18 US disclosed
EP-0107455-B1 TRIAZOLOQUINOXALINES AS ANTIDEPRESSANTS AND ANTIFATIGUE AGENTS PFIZER INC. (US) 1986-07-09 EP disclosed
US-4547501-A Method of using [1,2,4]triazolo[4,3-a]quinoxaline-4-amine derivatives as antidepressant and antifatigue agents PFIZER INC. (US) 1985-10-15 US disclosed
US-4495187-A Method of using [1,2,4]triazolo[4,3-a]quinoxaline-4-amine derivatives as antidepressant and antifatigue agents PFIZER INC. (US) 1985-01-22 US disclosed
EP-0107455-A1 Triazoloquinoxalines as antidepressants and antifatigue agents PFIZER INC. (US) 1984-05-02 EP 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-20120015953-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF ALLERGY HRH4, HRH2, HRH3 HRH4 1/4885HRH3 3/4885KMT2A 541/4885
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885HRH3 2/4885KMT2A 751/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885HRH3 2/4885KMT2A 751/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885HRH3 2/4885KMT2A 751/4885

“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.