SCHEMBL2402241

SCHEMBL2402241

O=C(O)N1CCN(c2ncc(Br)c(/N=C/NO)n2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.37
BCR P11274 3/20 0.37
PTPN11 Q06124 3/20 0.34
HCAR2 Q8TDS4 1/20 0.34
PANK3 Q9H999 1/20 0.33
SMO Q99835 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HDAC3 O15379 3/20 0.32
HDAC4 P56524 3/20 0.32
HDAC1 Q13547 3/20 0.32
HDAC7 Q8WUI4 3/20 0.32
HDAC2 Q92769 3/20 0.32
HDAC10 Q969S8 3/20 0.32
HDAC11 Q96DB2 3/20 0.32
HDAC8 Q9BY41 3/20 0.32
HDAC6 Q9UBN7 3/20 0.32
HDAC9 Q9UKV0 3/20 0.32
HDAC5 Q9UQL6 3/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL2402244 1.00 ABL1 (0.37) ABL1BCRPTPN11HCAR2PANK3
SCHEMBL2404078 0.84 PTPN11 (0.48) PTPN11SMN1; SMN2TSHR
SCHEMBL12269699 0.84 PTPN11 (0.48) PTPN11SMN1; SMN2TSHR
SCHEMBL2404082 0.84 PTPN11 (0.48) PTPN11SMN1; SMN2TSHR
SCHEMBL2401740 0.82 USP2 (0.38) ABL1BCRPTPN11HCAR2PANK3
SCHEMBL2401735 0.82 USP2 (0.38) ABL1BCRPTPN11HCAR2PANK3
SCHEMBL2405818 0.74 PTPN11 (0.47) ABL1BCRPTPN11ALDH1A1SMN1; SMN2
SCHEMBL2825734 0.70 PANK3 (0.52) PANK3ALDH1A1POLBSMN1; SMN2TSHR
SCHEMBL12269614 0.68 PTPN11 (0.46) PTPN11
SCHEMBL2403700 0.68 PTPN11 (0.46) PTPN11

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 3 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-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 ABL1 2338/4885BCR 2477/4885PTPN11 3809/4885

“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.