SCHEMBL2403073

SCHEMBL2403073

CN1CCN(c2ncc(-c3cccs3)c3ncnn23)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.46
HRH4 Q9H3N8 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
ALDH1A1 P00352 5/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
LMNA P02545 1/20 0.39
GBA1 P04062 1/20 0.39
USP2 O75604 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38

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
SCHEMBL2401935 0.87 ADRB1 (0.45) ALDH1A1KDM4EGLAGAAHPGD
Hydrochloric Acid SCHEMBL2402650 0.86 ADRB1 (0.44) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL2401936 0.85 HTT (0.40) ALDH1A1POLBKDM4EGLAGAA
SCHEMBL2400859 0.82 HRH4 (0.46) METHRH4ALDH1A1POLBKDM4E
SCHEMBL2400813 0.82 MET (0.46) METHRH4HRH3ALDH1A1POLB
SCHEMBL2404780 0.81 GBA1 (0.49) POLBKDM4EGBA1
SCHEMBL2400823 0.76 ALDH1A1 (0.46) METALDH1A1POLBKDM4EGLA
SCHEMBL2405574 0.71 HRH4 (0.46) HRH4ALDH1A1GLAHPGDMEN1
SCHEMBL2401468 0.69 ADRB1 (0.44) ALDH1A1GLAHPGDMEN1KMT2A
SCHEMBL2401844 0.68 LMNA (0.37) ALDH1A1KDM4EGAAHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210053989-A1 PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAI BLUERAY BIOPHARMA CO., LTD. (CN) 2021-02-25 US disclosed
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 (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 MET 845/4885HRH4 1/4885HRH3 2/4885
US-20210053989-A1 PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF PTPN11, PPM1F, PTPRF MET 538/4885HRH4 3712/4885HRH3 4394/4885

“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.