SCHEMBL2401665

SCHEMBL2401665

CN(C)C1CN(c2ncc(-c3cccs3)n3cnnc23)C1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.47
FYN P06241 6/20 0.37
SRC P12931 1/20 0.35
EED O75530 1/20 0.34
JAK2 O60674 1/20 0.34
HTR1A P08908 2/20 0.34
HTR7 P34969 2/20 0.34
ALDH1A1 P00352 1/20 0.33
GRK5 P34947 1/20 0.33
MCHR1 Q99705 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 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
SCHEMBL2405691 0.85 HRH4 (0.44) HRH4FYNSRCALDH1A1GRK5
SCHEMBL2404637 0.85 HRH4 (0.48) HRH4FYNSRCALDH1A1
SCHEMBL2400828 0.85 HCRTR1 (0.39) HRH4FYNSRCALDH1A1GRK5
Hydrochloric Acid SCHEMBL2404771 0.84 HRH4 (0.43) HRH4FYNSRCALDH1A1GRK5
SCHEMBL2401948 0.83 HCRTR1 (0.35) HRH4FYNSRCEEDALDH1A1
SCHEMBL2406244 0.83 FYN (0.37) FYNSRCALDH1A1HCRTR1HCRTR2
SCHEMBL2402671 0.82 HRH4 (0.50) HRH4ALDH1A1
SCHEMBL2403888 0.79 HRH4 (0.37) HRH4FYNSRCHCRTR1HCRTR2
SCHEMBL12269517 0.76 PDE10A (0.42) HRH4EEDJAK2
SCHEMBL2401453 0.72 FYN (0.46) FYNSRCALDH1A1GRK5

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 9 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
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 (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 1/4885FYN 2373/4885SRC 4417/4885

“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.