SCHEMBL2406244

SCHEMBL2406244

c1csc(-c2cnc(N3CC4CNCC4C3)c3nncn23)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FYN P06241 4/20 0.37
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
CHRNA7 P36544 3/20 0.33
ALDH1A1 P00352 2/20 0.33
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SRC P12931 1/20 0.33
BPTF Q12830 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
SCHEMBL2400828 0.87 HCRTR1 (0.39) FYNHCRTR1HCRTR2ALDH1A1SRC
SCHEMBL2405691 0.85 HRH4 (0.44) FYNHCRTR1HCRTR2ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL2404771 0.84 HRH4 (0.43) FYNHCRTR1HCRTR2ALDH1A1KDM4E
SCHEMBL2401665 0.83 HRH4 (0.47) FYNHCRTR1HCRTR2ALDH1A1SRC
SCHEMBL2404637 0.83 HRH4 (0.48) FYNALDH1A1SRC
SCHEMBL2402671 0.80 HRH4 (0.50) ALDH1A1
SCHEMBL2403888 0.79 HRH4 (0.37) FYNHCRTR1HCRTR2SRC
SCHEMBL2401948 0.76 HCRTR1 (0.35) FYNHCRTR1HCRTR2ALDH1A1KDM4E
SCHEMBL12269517 0.74 PDE10A (0.42)
SCHEMBL2401453 0.72 FYN (0.46) FYNALDH1A1KDM4EPOLBHSD17B10

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 FYN 2373/4885HCRTR1 9/4885HCRTR2 12/4885

“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.