SCHEMBL106823

SCHEMBL106823

CC(C)(C)N(NC(=O)c1cnsn1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.49
NPC1 O15118 4/20 0.49
MAPT P10636 3/20 0.49
PKM P14618 1/20 0.49
HPGD P15428 2/20 0.44
GLA P06280 1/20 0.44
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.40
TP53 P04637 2/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
MITF O75030 1/20 0.36

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
SCHEMBL4257189 0.70 POLB (0.77) POLBCYP3A4CYP2C9
SCHEMBL11591493 0.68
SCHEMBL13995812 0.65
SCHEMBL11525181 0.64 POLB (0.38) MAPTPOLBSMN1; SMN2CYP3A4CYP2C9
SCHEMBL9180922 0.61 CYP3A4 (0.47) POLBCYP3A4CYP2C9
SCHEMBL11008708 0.61 SMN1; SMN2 (0.46) RAB9ANPC1MAPTPKMHPGD
SCHEMBL6421565 0.60 PTPN1 (0.58) RAB9ANPC1MAPTPKMHPGD
SCHEMBL11797946 0.59 HTT (0.40) POLBSMN1; SMN2CYP3A4CYP2C9
SCHEMBL8174887 0.59 POLB (0.75) POLBCYP3A4CYP2C9
SCHEMBL8166298 0.58 POLB (0.68) MAPTPOLBSMN1; SMN2CYP3A4CYP2C9

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-2424869-B1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LTD (GB) 2016-06-22 EP disclosed
US-8501946-B2 5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine derivatives as P2X7 modulators GLAXO GROUP LIMITED (GB) 2013-08-06 US disclosed
US-20120157436-A1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2012-06-21 US disclosed
EP-2424869-A1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS Glaxo Group Limited (GB) 2012-03-07 EP disclosed
WO-2010125102-A1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2010-11-04 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-20120157436-A1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS P2RX7, P2RX6, P2RX3 RAB9A 2017/4885NPC1 1405/4885MAPT 3521/4885

“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.