SCHEMBL2400828

SCHEMBL2400828

CN1CC2CN(c3ncc(-c4cccs4)n4cnnc34)CC2C1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 5/20 0.39
HCRTR2 O43614 5/20 0.39
HRH4 Q9H3N8 6/20 0.37
FYN P06241 4/20 0.37
GRK5 P34947 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SRC P12931 1/20 0.35
HRH3 Q9Y5N1 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
SCHEMBL2406244 0.87 FYN (0.37) HCRTR1HCRTR2FYNALDH1A1SRC
SCHEMBL2402671 0.86 HRH4 (0.50) HRH4ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL2405691 0.85 HRH4 (0.44) HCRTR1HCRTR2HRH4FYNGRK5
SCHEMBL2404637 0.85 HRH4 (0.48) HRH4FYNALDH1A1SRC
SCHEMBL2401665 0.85 HRH4 (0.47) HCRTR1HCRTR2HRH4FYNGRK5
Hydrochloric Acid SCHEMBL2404771 0.84 HRH4 (0.43) HCRTR1HCRTR2HRH4FYNGRK5
SCHEMBL2403888 0.79 HRH4 (0.37) HCRTR1HCRTR2HRH4FYNSRC
SCHEMBL2401948 0.78 HCRTR1 (0.35) HCRTR1HCRTR2HRH4FYNGRK5
SCHEMBL12269517 0.76 PDE10A (0.42) HRH4
SCHEMBL2401453 0.75 FYN (0.46) FYNGRK5ALDH1A1SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2545058-B1 TETRAZOLO[1,5-a]PYRAZINE COMPOUNDS AS INHIBITORS OF HISTAMINE RECEPTORS KALYPSYS INC (US) 2016-08-24 EP disclosed
US-8569300-B2 Substituted tetrazolo[1,5-A]pyrazine inhibitors of histamine receptors for the treatment of disease KALYPSYS INC. (US) 2013-10-29 US disclosed
US-8569300-B2 Substituted tetrazolo[1,5-A]pyrazine inhibitors of histamine receptors for the treatment of disease KALYPSYS INC. (US) 2013-10-29 US disclosed
US-8569300-B2 Substituted tetrazolo[1,5-A]pyrazine inhibitors of histamine receptors for the treatment of disease KALYPSYS INC. (US) 2013-10-29 US disclosed
US-20110237565-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-29 US disclosed
US-20110237565-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-29 US disclosed
US-20110237565-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-29 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 (1 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-20110237565-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HCRTR1 9/4885HCRTR2 12/4885HRH4 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.