SCHEMBL2403700

SCHEMBL2403700

CN(C)C=Nc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1Br

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.46
GPR119 Q8TDV5 10/20 0.45
MAPT P10636 1/20 0.44
ACHE P22303 2/20 0.43
CKS1B P61024 2/20 0.41
SKP1 P63208 2/20 0.41
SKP2 Q13309 2/20 0.41
CHRNA7 P36544 1/20 0.41
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
KCNH2 Q12809 1/20 0.39
ROCK2 O75116 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
SCHEMBL2403695 1.00 PTPN11 (0.46) PTPN11GPR119MAPTACHECKS1B
SCHEMBL12269614 1.00 PTPN11 (0.46) PTPN11GPR119MAPTACHECKS1B
SCHEMBL18032430 0.88 PTPN11 (0.49) PTPN11GPR119MAPTACHECKS1B
SCHEMBL2404078 0.86 PTPN11 (0.48) PTPN11GPR119MAPTACHECKS1B
SCHEMBL2404082 0.86 PTPN11 (0.48) PTPN11GPR119MAPTACHECKS1B
SCHEMBL12269699 0.86 PTPN11 (0.48) PTPN11GPR119MAPTACHECKS1B
SCHEMBL2401740 0.85 USP2 (0.38) PTPN11MAPT
SCHEMBL2401735 0.85 USP2 (0.38) PTPN11MAPT
SCHEMBL12269591 0.82 CKS1B (0.41) PTPN11GPR119MAPTACHECKS1B
SCHEMBL16651989 0.79 PTPN11 (0.53) PTPN11GPR119MAPTACHECKS1B

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 5 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
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
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 PTPN11 3809/4885GPR119 188/4885MAPT 2882/4885

“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.