SCHEMBL2402597

SCHEMBL2402597

CC(C)(C)OC(=O)N1CCN(c2ncc(Br)nc2C#N)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.47
NR1H3 Q13133 1/20 0.47
KCNH2 Q12809 1/20 0.46
GPR119 Q8TDV5 8/20 0.46
CKS1B P61024 2/20 0.45
SKP1 P63208 2/20 0.45
SKP2 Q13309 2/20 0.45
RET P07949 1/20 0.44
MAP4K4 O95819 1/20 0.43
PTPN11 Q06124 1/20 0.42
EGLN2 Q96KS0 1/20 0.42
GBA1 P04062 1/20 0.42
KIT P10721 1/20 0.41
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.41

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 0.83 MAP4K4 (0.52) KCNH2GPR119CKS1BSKP1SKP2
SCHEMBL2402237 0.82 POLB (0.48) NR1H2NR1H3GPR119CKS1BSKP1
SCHEMBL12269830 0.82 GPR119 (0.48) NR1H2NR1H3GPR119CKS1BSKP1
SCHEMBL2401956 0.82 KDM4E (0.35) HTT
SCHEMBL6287049 0.81 MAP4K4 (0.52) KCNH2GPR119CKS1BSKP1SKP2
SCHEMBL2400302 0.80 PTPN11 (0.47) KCNH2GPR119CKS1BSKP1SKP2
SCHEMBL14687796 0.80 NR1H2 (0.58) NR1H2NR1H3KCNH2GPR119RET
SCHEMBL18032579 0.80 CKS1B (0.45) KCNH2GPR119CKS1BSKP1SKP2
SCHEMBL23508886 0.79 RET (0.45) RET
SCHEMBL2401705 0.79 GBA1 (0.56) NR1H2NR1H3GPR119CKS1BSKP1

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 NR1H2 878/4885NR1H3 1044/4885KCNH2 607/4885

“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.