SCHEMBL2406232

SCHEMBL2406232

CN1CCN(c2ncc(-c3cccs3)n3cc(N)nc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
GBA1 P04062 1/20 0.47
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
FYN P06241 3/20 0.43
POLB P06746 2/20 0.43
MET P08581 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HRH4 Q9H3N8 2/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL2403895 0.87 FLT3 (0.43) LMNAALDH1A1MEN1KMT2AFYN
SCHEMBL2496576 0.85 GBA1 (0.45) LMNAGBA1ALDH1A1MEN1KMT2A
SCHEMBL2401402 0.81 HTR3E (0.50) LMNAGBA1ALDH1A1MEN1KMT2A
SCHEMBL2402671 0.80 HRH4 (0.50) LMNAGBA1ALDH1A1MEN1KMT2A
SCHEMBL2401717 0.79 KMT2A (0.45) LMNAGBA1ALDH1A1MEN1KMT2A
SCHEMBL2401877 0.77 HRH4 (0.47) LMNAGBA1ALDH1A1MEN1KMT2A
SCHEMBL2400823 0.76 ALDH1A1 (0.46) LMNAGBA1ALDH1A1MEN1KMT2A
SCHEMBL2405703 0.76 SRC (0.53) LMNAGBA1ALDH1A1MEN1KMT2A
SCHEMBL2401793 0.75 ALDH1A1 (0.48) LMNAGBA1ALDH1A1MEN1KMT2A
SCHEMBL2401837 0.71 GBA1 (0.49) LMNAGBA1ALDH1A1MEN1KMT2A

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 LMNA 4737/4885GBA1 1531/4885ALDH1A1 2090/4885

“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.