SCHEMBL2401468

SCHEMBL2401468

c1csc(-c2cnc(N3CCNCC3)n3nnnc23)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.44
FLT3 P36888 2/20 0.42
ALDH1A1 P00352 9/20 0.40
CYP1A2 P05177 9/20 0.40
CYP3A4 P08684 9/20 0.40
MEN1 O00255 8/20 0.40
USP2 O75604 8/20 0.40
CASP1 P29466 8/20 0.40
CASP7 P55210 8/20 0.40
KMT2A Q03164 8/20 0.40
CYP2C9 P11712 7/20 0.40
HIF1A Q16665 7/20 0.40
HSD17B10 Q99714 6/20 0.40
TP53 P04637 5/20 0.38
CLK4 Q9HAZ1 4/20 0.38
CYP2C19 P33261 4/20 0.38
HPGD P15428 4/20 0.38
LMNA P02545 3/20 0.38
CYP2D6 P10635 3/20 0.38
MAPK1 P28482 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
Hydrochloric Acid SCHEMBL2405585 0.99 ADRB1 (0.43) ADRB1FLT3ALDH1A1CYP1A2CYP3A4
SCHEMBL2400813 0.87 MET (0.46) FLT3ALDH1A1CYP1A2CYP3A4MEN1
SCHEMBL2401935 0.82 ADRB1 (0.45) ADRB1FLT3ALDH1A1CYP1A2CYP3A4
SCHEMBL2401844 0.82 LMNA (0.37) ALDH1A1CYP1A2CYP3A4MEN1KMT2A
Hydrochloric Acid SCHEMBL2402650 0.81 ADRB1 (0.44) ADRB1FLT3ALDH1A1CYP1A2CYP3A4
SCHEMBL2405574 0.81 HRH4 (0.46) ADRB1FLT3ALDH1A1CYP1A2CYP3A4
SCHEMBL2402477 0.79 CHEK1 (0.37) ALDH1A1CYP3A4MEN1KMT2ACYP2C9
SCHEMBL2402203 0.77 GBA1 (0.49) ALDH1A1CYP1A2MEN1KMT2ACYP2C9
SCHEMBL2404750 0.77 FLT3 (0.42) ADRB1FLT3ALDH1A1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL2401812 0.76 FLT3 (0.43) ADRB1FLT3ALDH1A1CYP1A2CYP3A4

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 ADRB1 569/4885FLT3 1548/4885ALDH1A1 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.