SCHEMBL1464043

SCHEMBL1464043

N/N=C1/CCCC(c2ccccc2)N1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.37
NOS2 P35228 2/20 0.37
GRIN2B Q13224 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
PRCP P42785 1/20 0.33
SLC18A3 Q16572 1/20 0.32
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL1463295 0.83 KDM1A (0.34) MEN1KMT2ANPC1PRCP
SCHEMBL18159761 0.73 GRIN2B (0.33) GRIN2B
SCHEMBL1274980 0.73 DDB1 (0.44) NOS1GRIN2B
SCHEMBL6168920 0.73 ALDH1A1 (0.37) NOS1NOS2GRIN2BMEN1KMT2A
SCHEMBL3237381 0.71 DDB1 (0.43) NOS1NOS2SLC18A3
SCHEMBL7631291 0.71 NOS1 (0.39) NOS1NOS2GRIN2BPRCPSLC18A3
SCHEMBL15874659 0.71 DDB1 (0.43) NOS1NOS2SLC18A3
SCHEMBL618869 0.70 MEN1 (0.44) GRIN2BMEN1KMT2ANPC1PRCP
SCHEMBL18150756 0.70 KDM1A (0.34) GRIN2B
SCHEMBL6924404 0.66 MEN1 (0.47) MEN1KMT2APRCPSLC18A3SIGMAR1

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
US-8871760-B2 [1,2,4]triazolo[3,4-C][1,4]oxazines as P2X7 modulators ROCHE PALO ALTO LLC (US) 2014-10-28 US disclosed
US-8871760-B2 [1,2,4]triazolo[3,4-C][1,4]oxazines as P2X7 modulators ROCHE PALO ALTO LLC (US) 2014-10-28 US disclosed
US-8871760-B2 [1,2,4]triazolo[3,4-C][1,4]oxazines as P2X7 modulators ROCHE PALO ALTO LLC (US) 2014-10-28 US disclosed
EP-2480545-A1 FUSED TRIAZOLE AMINES AS P2X7 MODULATORS F. Hoffmann-La Roche AG (CH) 2012-08-01 EP disclosed
WO-2011033055-A1 FUSED TRIAZOLE AMINES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-24 WO disclosed
WO-2011033055-A1 FUSED TRIAZOLE AMINES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-24 WO disclosed
US-20110071143-A1 FUSED TRIAZOLE AMINES AS P2X7 MODULATORS BROTHERTON-PLEISS CHRISTINE E 2011-03-24 US disclosed
US-20110071143-A1 FUSED TRIAZOLE AMINES AS P2X7 MODULATORS BROTHERTON-PLEISS CHRISTINE E 2011-03-24 US disclosed
US-20110071143-A1 FUSED TRIAZOLE AMINES AS P2X7 MODULATORS BROTHERTON-PLEISS CHRISTINE E 2011-03-24 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-20110071143-A1 FUSED TRIAZOLE AMINES AS P2X7 MODULATORS P2RX3, P2RX7, P2RX1 NOS1 2126/4885NOS2 2448/4885GRIN2B 369/4885

“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.