Sugi Predict

Sugi Predict / Compounds / SCHEMBL12417360

SCHEMBL12417360

SCHEMBL12417360

Cn1c2ccc(P3(c4ccc5c(c4)c4ncccc4n5C)=NP(c4ccc5c(c4)c4ncccc4n5C)(c4ccc5c(c4)c4ncccc4n5C)=NP(c4ccc5c(c4)c4ncccc4n5C)(c4ccc5c(c4)c4ncccc4n5C)=N3)cc2c2ncccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.43
▸ ADORA2A P29274 1/20 0.43
▸ GPR3 P46089 1/20 0.40
▸ NPC1 O15118 2/20 0.38
▸ HCRTR1 O43613 2/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ MAPK14 Q16539 1/20 0.37
▸ GABRP O00591 1/20 0.37
▸ GABRD O14764 1/20 0.37
▸ GABRA1 P14867 1/20 0.37
▸ GABRB1 P18505 1/20 0.37
▸ GABRG2 P18507 1/20 0.37
▸ GABRB3 P28472 1/20 0.37
▸ GABRA5 P31644 1/20 0.37
▸ GABRA3 P34903 1/20 0.37
▸ GABRA2 P47869 1/20 0.37
▸ GABRB2 P47870 1/20 0.37
▸ GABRA4 P48169 1/20 0.37
▸ GABRE P78334 1/20 0.37
▸ GABRA6 Q16445 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
SCHEMBL12417346 0.80 GPR3 (0.59) GPR3NPC1RAB9AGABRPGABRD
SCHEMBL31232963 0.80 GPR3 (0.58) ADORA3ADORA2AGPR3NPC1MAPK14
SCHEMBL1609786 0.80 GPR3 (0.58) ADORA3ADORA2AGPR3NPC1MAPK14
SCHEMBL13911852 0.80 MEN1 (0.53) ADORA3ADORA2AGPR3NPC1HCRTR1
SCHEMBL13183748 0.79 ADORA3 (0.50) ADORA3ADORA2AGPR3NPC1HCRTR1
SCHEMBL18381781 0.77 GPR3 (0.59) ADORA3ADORA2AGPR3NPC1HCRTR1
SCHEMBL12417369 0.76 GPR3 (0.53) GPR3NPC1RAB9AL3MBTL1KDM4E
SCHEMBL9968099 0.76 ADORA3 (0.43) ADORA3ADORA2AGPR3NPC1HCRTR1
SCHEMBL16625726 0.76 LIMK1 (0.43) ADORA3ADORA2AGPR3NPC1HCRTR1
SCHEMBL14329568 0.76 ADORA3 (0.43) ADORA3ADORA2AGPR3NPC1HCRTR1

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
US-8859110-B2 Cyclic phosphazene compounds and use thereof in organic light emitting diodes BASF SE (DE) 2014-10-14 — — US disclosed
US-8859110-B2 Cyclic phosphazene compounds and use thereof in organic light emitting diodes BASF SE (DE) 2014-10-14 — — US disclosed
US-20110172423-A1 CYCLIC PHOSPHAZENE COMPOUNDS AND USE THEREOF IN ORGANIC LIGHT EMITTING DIODES BASF SE (DE) 2011-07-14 — — US disclosed
US-20110172423-A1 CYCLIC PHOSPHAZENE COMPOUNDS AND USE THEREOF IN ORGANIC LIGHT EMITTING DIODES BASF SE (DE) 2011-07-14 — — US disclosed
WO-2009153276-A1 CYCLIC PHOSPHAZENE COMPOUNDS AND USE THEREOF IN ORGANIC LIGHT EMITTING DIODES BASF SE (DE) 2009-12-23 — — 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-20110172423-A1 CYCLIC PHOSPHAZENE COMPOUNDS AND USE THEREOF IN ORGANIC LIGHT EMITTING DIODES PHOSPHO1, PDE6B, PDE6C ADORA3 2529/4885ADORA2A 574/4885GPR3 2069/4885

“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.