SCHEMBL405707

SCHEMBL405707

Cc1ccc2c(c1)nc(N1CCN(C)CC1)c1nncn12

nearest known ligand 0.82

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 15/20 0.82
HRH3 Q9Y5N1 6/20 0.82
HTR3A P46098 2/20 0.62
HTR3E A5X5Y0 1/20 0.62
HTR3B O95264 1/20 0.62
HTR3D Q70Z44 1/20 0.62
HTR3C Q8WXA8 1/20 0.62
POLB P06746 1/20 0.62
MAPK1 P28482 1/20 0.62
KMT2A Q03164 1/20 0.62
MAPT P10636 2/20 0.58
TP53 P04637 1/20 0.58
KDM4E B2RXH2 1/20 0.54
HPGD P15428 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
SCHEMBL404191 0.90 HRH4 (1.00) HRH4HRH3HTR3APOLBMAPK1
SCHEMBL406330 0.86 HRH4 (0.70) HRH4HRH3HTR3AMAPTKDM4E
SCHEMBL405189 0.86 HRH4 (0.62) HRH4HRH3POLBMAPK1KMT2A
SCHEMBL438238 0.83 HRH4 (0.68) HRH4HRH3HTR3AHTR3EHTR3B
SCHEMBL406010 0.83 HRH4 (1.00) HRH4HRH3HTR3AHTR3EHTR3B
SCHEMBL404286 0.81 HRH4 (0.68) HRH4HRH3HTR3A
SCHEMBL404275 0.81 HRH4 (0.74) HRH4HRH3HTR3A
SCHEMBL12224840 0.81 HRH4 (0.68) HRH4HRH3HTR3APOLBMAPK1
SCHEMBL404333 0.81 HRH4 (0.69) HRH4HRH3HTR3AKMT2AKDM4E
SCHEMBL12224846 0.81 HRH4 (0.67) HRH4HRH3HTR3APOLBMAPK1

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 2 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

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-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885HRH3 2/4885HTR3A 153/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885HRH3 2/4885HTR3A 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.