SCHEMBL404479

SCHEMBL404479

Cc1nc2c3cc(Cl)c(F)cc3nc(Cl)n2n1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 10/20 0.38
HAVCR2 Q8TDQ0 7/20 0.37
HRH4 Q9H3N8 2/20 0.34
PDE5A O76074 1/20 0.33
PDE4D Q08499 1/20 0.33

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
SCHEMBL404651 0.91 PDE10A (0.39) PDE10AHAVCR2HRH4PDE5APDE4D
SCHEMBL405812 0.88 PDE10A (0.38) PDE10AHAVCR2HRH4PDE5APDE4D
SCHEMBL406026 0.88 PDE10A (0.41) PDE10AHAVCR2HRH4PDE5APDE4D
SCHEMBL406267 0.85 PDE10A (0.38) PDE10AHAVCR2HRH4PDE5APDE4D
SCHEMBL405041 0.85 PDE10A (0.39) PDE10AHAVCR2HRH4PDE5APDE4D
SCHEMBL463624 0.83 PDE10A (0.38) PDE10AHAVCR2HRH4
SCHEMBL406204 0.82 PDE10A (0.39) PDE10AHAVCR2HRH4PDE5APDE4D
SCHEMBL462808 0.82 PDE10A (0.38) PDE10AHAVCR2HRH4
SCHEMBL462817 0.81 PDE10A (0.38) PDE10AHAVCR2HRH4PDE5APDE4D
SCHEMBL405737 0.79 PDE10A (0.57) PDE10AHAVCR2

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 6 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-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-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

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-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 PDE10A 4079/4885HAVCR2 84/4885HRH4 1/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 PDE10A 4079/4885HAVCR2 84/4885HRH4 1/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 PDE10A 4079/4885HAVCR2 84/4885HRH4 1/4885

“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.