SCHEMBL2403985

SCHEMBL2403985

CNC1CN(c2ncc(-c3cccs3)n3nnnc23)C1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 8/20 0.47
FYN P06241 6/20 0.37
GRK5 P34947 1/20 0.35
CYP17A1 P05093 1/20 0.35
SMPD3 Q9NY59 1/20 0.33
LRRK2 Q5S007 1/20 0.33
SRC P12931 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
HTR3A P46098 1/20 0.32

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
Hydrochloric Acid SCHEMBL14785872 0.99 HRH4 (0.46) HRH4FYNGRK5CYP17A1SMPD3
SCHEMBL14785798 0.94 HRH4 (0.43) HRH4FYNGRK5CYP17A1SMPD3
SCHEMBL2401946 0.92 HRH4 (0.40) HRH4FYNGRK5SMPD3HRH3
SCHEMBL2401829 0.92 HRH4 (0.40) HRH4FYNGRK5SMPD3HRH3
SCHEMBL2401823 0.92 HRH4 (0.40) HRH4FYNGRK5SMPD3HRH3
Citric Acid SCHEMBL14785771 0.87 HRH4 (0.38) HRH4FYNGRK5SMPD3LRRK2
SCHEMBL2401793 0.82 ALDH1A1 (0.48) HRH4FYNGRK5CYP17A1HRH3
SCHEMBL2406219 0.82 HRH4 (0.51) HRH4HRH3HTR3A
SCHEMBL15353914 0.81 ALDH1A1 (0.42) FYNGRK5CYP17A1
SCHEMBL14785994 0.80 HRH4 (0.40) HRH4FYNSMPD3HRH3HTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859550-B2 Heterocyclic inhibitors of histamine receptors for the treatment of disease KALYPSYS, INC. (US) 2014-10-14 US claimed
US-20130245001-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2013-09-19 US claimed
WO-2013039785-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2013-03-21 WO claimed
EP-2545058-B1 TETRAZOLO[1,5-a]PYRAZINE COMPOUNDS AS INHIBITORS OF HISTAMINE RECEPTORS KALYPSYS INC (US) 2016-08-24 EP disclosed
US-8859550-B2 Heterocyclic inhibitors of histamine receptors for the treatment of disease KALYPSYS, INC. (US) 2014-10-14 US disclosed
US-8859550-B2 Heterocyclic inhibitors of histamine receptors for the treatment of disease KALYPSYS, INC. (US) 2014-10-14 US disclosed
US-8859550-B2 Heterocyclic inhibitors of histamine receptors for the treatment of disease KALYPSYS, INC. (US) 2014-10-14 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-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-20130245001-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2013-09-19 US disclosed
US-20130245001-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2013-09-19 US disclosed
US-20130245001-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2013-09-19 US disclosed
WO-2013039785-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2013-03-21 WO disclosed
WO-2013039785-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2013-03-21 WO 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
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
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 (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-20110237565-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885FYN 2373/4885GRK5 292/4885
US-20130245001-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH2, HRH3 HRH4 1/4885FYN 2350/4885GRK5 96/4885

“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.