SCHEMBL2402203

SCHEMBL2402203

CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cccs3)c3nnnn23)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.49
GPR119 Q8TDV5 3/20 0.41
CKS1B P61024 2/20 0.41
SKP1 P63208 2/20 0.41
SKP2 Q13309 2/20 0.41
SMARCA2 P51531 1/20 0.39
SMARCA4 P51532 1/20 0.39
PBRM1 Q86U86 1/20 0.39
EED O75530 1/20 0.38
RBBP4 Q09028 1/20 0.38
SUZ12 Q15022 1/20 0.38
EZH2 Q15910 1/20 0.38
DTYMK P23919 1/20 0.38
ACHE P22303 1/20 0.38
PTPN11 Q06124 1/20 0.37
POLB P06746 1/20 0.37
KIT P10721 1/20 0.37
PIK3CA P42336 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 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
SCHEMBL2404780 0.86 GBA1 (0.49) GBA1GPR119CKS1BSKP1SKP2
SCHEMBL2401844 0.85 LMNA (0.37) GBA1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2403233 0.81 GBA1 (0.53) GBA1GPR119CKS1BSKP1SKP2
SCHEMBL2404794 0.79 CKS1B (0.42) GBA1GPR119CKS1BSKP1SKP2
SCHEMBL2404593 0.75 PTPN11 (0.59) GBA1GPR119CKS1BSKP1SKP2
SCHEMBL2401936 0.70 HTT (0.40) GBA1POLBMEN1KMT2AMAPT
SCHEMBL2386105 0.69 GBA1 (0.54) GBA1GPR119CKS1BSKP1SKP2
SCHEMBL2401761 0.69 GBA1 (0.54) GBA1GPR119CKS1BSKP1SKP2
SCHEMBL2274835 0.69 GBA1 (0.55) GBA1GPR119CKS1BSKP1SKP2
SCHEMBL2405697 0.69 NR1H2 (0.42) GBA1GPR119CKS1BSKP1SKP2

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 9 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
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 GBA1 1531/4885GPR119 188/4885CKS1B 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.