SCHEMBL2401992

SCHEMBL2401992

CC(=Nc1nc(Br)cnc1N1CCN(C(=O)OC(C)(C)C)CC1)N(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
CKS1B P61024 2/20 0.41
SKP1 P63208 2/20 0.41
SKP2 Q13309 2/20 0.41
TLR9 Q9NR96 2/20 0.41
MAP4K4 O95819 1/20 0.40
PTPN11 Q06124 1/20 0.39
GBA1 P04062 2/20 0.39
GPR119 Q8TDV5 3/20 0.38
KIT P10721 2/20 0.38
TLR7 Q9NYK1 1/20 0.38
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KCNH2 Q12809 1/20 0.37
BACE1 P56817 1/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL2401989 1.00 NR1H2 (0.42) NR1H2NR1H3CKS1BSKP1SKP2
SCHEMBL12269558 0.87 CKS1B (0.42) CKS1BSKP1SKP2TLR9MAP4K4
SCHEMBL2401143 0.87 CKS1B (0.42) CKS1BSKP1SKP2TLR9MAP4K4
SCHEMBL2401136 0.87 CKS1B (0.42) CKS1BSKP1SKP2TLR9MAP4K4
SCHEMBL2403740 0.85 KDM4E (0.31) CKS1BSKP1SKP2
SCHEMBL2403738 0.85 KDM4E (0.31) CKS1BSKP1SKP2
SCHEMBL12269591 0.84 CKS1B (0.41) NR1H2NR1H3CKS1BSKP1SKP2
SCHEMBL2402337 0.81 MAP4K4 (0.52) CKS1BSKP1SKP2TLR9MAP4K4
SCHEMBL2470530 0.81 MAP4K4 (0.41) NR1H2NR1H3CKS1BSKP1SKP2
SCHEMBL12269550 0.80 CKS1B (0.41) NR1H2NR1H3CKS1BSKP1SKP2

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 4 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
CN-102869666-A Heterocyclic inhibitors of histamine receptors for the treatment of disease KALYPSYS INC 2013-01-09 CN 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 NR1H2 878/4885NR1H3 1044/4885CKS1B 3409/4885

“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.