SCHEMBL2401946

SCHEMBL2401946

CN[C@H]1CCN(c2ncc(-c3cccs3)n3nnnc23)C1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 11/20 0.40
SMPD3 Q9NY59 1/20 0.36
HRH3 Q9Y5N1 4/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
KCNH2 Q12809 2/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
FYN P06241 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KLF5 Q13887 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
JAK2 O60674 1/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
GRK5 P34947 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
SCHEMBL2401829 1.00 HRH4 (0.40) HRH4SMPD3HRH3LMNAMAPT
SCHEMBL2401823 1.00 HRH4 (0.40) HRH4SMPD3HRH3LMNAMAPT
SCHEMBL2403985 0.92 HRH4 (0.47) HRH4SMPD3HRH3FYNGRK5
Hydrochloric Acid SCHEMBL14785872 0.91 HRH4 (0.46) HRH4SMPD3HRH3FYNGRK5
SCHEMBL14785798 0.86 HRH4 (0.43) HRH4SMPD3LMNAFYNGRK5
SCHEMBL2401793 0.81 ALDH1A1 (0.48) HRH4HRH3LMNAFYNGRK5
Citric Acid SCHEMBL14785771 0.80 HRH4 (0.38) HRH4SMPD3FYNNPC1RAB9A
SCHEMBL15353914 0.80 ALDH1A1 (0.42) MAPTFYNNPC1RAB9AGRK5
SCHEMBL2404750 0.78 FLT3 (0.42) LMNAFYN
SCHEMBL12269529 0.77 FYN (0.37) FYNGRK5

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
EP-2545058-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE Kalypsys, Inc. (US) 2013-01-16 EP disclosed
US-20110237565-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-29 US disclosed
WO-2011112766-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-15 WO 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 HRH4 1/4885SMPD3 2470/4885HRH3 2/4885

“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.