SCHEMBL2402237

SCHEMBL2402237

CC(C)(C)OC(=O)N1CCN(c2ncc(Br)nc2Cl)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
CKS1B P61024 2/20 0.47
SKP1 P63208 2/20 0.47
SKP2 Q13309 2/20 0.47
MAP4K4 O95819 1/20 0.46
NR1H2 P55055 1/20 0.45
NR1H3 Q13133 1/20 0.45
PTPN11 Q06124 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GBA1 P04062 2/20 0.44
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
GPR119 Q8TDV5 3/20 0.43
KIT P10721 2/20 0.43
SUV39H2 Q9H5I1 1/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL2402337 0.86 MAP4K4 (0.52) CKS1BSKP1SKP2MAP4K4PTPN11
SCHEMBL6287049 0.84 MAP4K4 (0.52) CKS1BSKP1SKP2MAP4K4PTPN11
SCHEMBL2400302 0.82 PTPN11 (0.47) CKS1BSKP1SKP2MAP4K4PTPN11
SCHEMBL2402597 0.82 NR1H2 (0.47) CKS1BSKP1SKP2MAP4K4NR1H2
SCHEMBL18032579 0.82 CKS1B (0.45) CKS1BSKP1SKP2MAP4K4PTPN11
SCHEMBL4747377 0.82 CNR1 (0.54) POLBCKS1BSKP1SKP2NR1H2
SCHEMBL2403979 0.82 ABL1 (0.43) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL124268 0.81 POLB (0.60) POLBCKS1BSKP1SKP2MAP4K4
SCHEMBL30592010 0.81 POLB (0.60) POLBCKS1BSKP1SKP2MAP4K4
SCHEMBL899791 0.81 NR1H2 (0.47) POLBCKS1BSKP1SKP2NR1H2

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
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
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
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 POLB 4767/4885CKS1B 3409/4885SKP1 3163/4885

“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.