SCHEMBL405876

SCHEMBL405876

Cc1cc2nc(N3CCN(C)CC3)c(Cl)nc2cc1Cl

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 10/20 0.66
HTR3B O95264 2/20 0.63
HTR3A P46098 2/20 0.63
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR3E A5X5Y0 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL5772609 1.00 HRH4 (0.66) HRH4HTR3BHTR3APOLBKMT2A
SCHEMBL30223251 0.91 HRH4 (0.73) HRH4HTR3BHTR3AHTR3EHTR3D
SCHEMBL405806 0.91 HRH4 (0.73) HRH4HTR3BHTR3AHTR3EHTR3D
SCHEMBL405787 0.85 HRH4 (0.60) HRH4HTR3BHTR3AHTR3EHTR3D
SCHEMBL6358386 0.85 HRH4 (0.66) HRH4HTR3BHTR3AKDM4E
SCHEMBL404215 0.84 HRH4 (0.61) HRH4HTR3BHTR3AHTR3EHTR3D
SCHEMBL406322 0.81 HRH4 (0.67) HRH4HTR3BHTR3AHTR3EHTR3D
SCHEMBL27661218 0.81 HRH4 (0.70) HRH4HTR3BHTR3AHTR3EHTR3D
SCHEMBL404202 0.81 HRH4 (0.70) HRH4HTR3BHTR3AHTR3EHTR3D
SCHEMBL463021 0.80 HRH4 (0.57) HRH4HTR3BHTR3AKMT2AHTR3E

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 5 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-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
EP-1670774-A1 QUINOXALINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-21 EP disclosed
WO-2005033088-A1 QUINOXALINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2005-04-14 WO disclosed
US-20050070527-A1 For leukocyte recruitment inhibition, treating or preventing inflammation and H4 receptor-mediated conditions JANSSEN PHARMACEUTICA, N.V. (BE) 2005-03-31 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-20050070527-A1 For leukocyte recruitment inhibition, treating or preventing inflammation and H4 receptor-mediated conditions HRH4, HRH3, LTB4R HRH4 1/4885HTR3B 134/4885HTR3A 225/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885HTR3B 113/4885HTR3A 153/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885HTR3B 113/4885HTR3A 153/4885

“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.