SCHEMBL822669

SCHEMBL822669

Cn1cc2cnc3ccccc3c2c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 3/20 0.59
KDM4E B2RXH2 1/20 0.59
ADORA3 P0DMS8 1/20 0.46
MAOA P21397 1/20 0.46
TLR7 Q9NYK1 4/20 0.44
TOP2A P11388 1/20 0.42
ACHE P22303 2/20 0.42
HTR4 Q13639 5/20 0.42
PDPK1 O15530 1/20 0.41
KCNH2 Q12809 2/20 0.39
HTR2A P28223 1/20 0.38
CYP1A2 P05177 1/20 0.38
HTR3A P46098 1/20 0.38
HRH4 Q9H3N8 1/20 0.38

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
SCHEMBL822694 0.78 MAPT (0.57) KDM4EMAOAHTR2A
Phenanthridine SCHEMBL30823553 0.74 GPR3 (1.00) GPR3KDM4EADORA3TOP2APDPK1
Phenanthridine SCHEMBL30914262 0.74 GPR3 (1.00) GPR3KDM4EADORA3TOP2APDPK1
Phenanthridine SCHEMBL8666 0.74 GPR3 (1.00) GPR3KDM4EADORA3TOP2APDPK1
Phenanthridine SCHEMBL9106884 0.74 GPR3 (1.00) GPR3KDM4EADORA3TOP2APDPK1
SCHEMBL9395199 0.74 ADORA3 (0.55) GPR3KDM4EADORA3TLR7TOP2A
Phenanthridine SCHEMBL29087045 0.74 GPR3 (0.87) GPR3KDM4EADORA3TOP2APDPK1
Phenanthridine SCHEMBL23003530 0.73 GPR3 (0.95) GPR3KDM4EADORA3TOP2APDPK1
Phenanthridine SCHEMBL8505090 0.73 GPR3 (0.95) GPR3KDM4EADORA3TOP2APDPK1
Phenanthridine SCHEMBL460289 0.73 GPR3 (0.95) GPR3KDM4EADORA3TOP2APDPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9067919-B2 Use of dibenzofurans and dibenzothiophenes substituted by nitrogen-bonded five-membered heterocyclic rings in organic electronics BASF SE (DE) 2015-06-30 US disclosed
US-20120007063-A1 USE OF DIBENZOFURANS AND DIBENZOTHIOPHENES SUBSTITUTED BY NITROGEN-BONDED FIVE-MEMBERED HETEROCYCLIC RINGS IN ORGANIC ELECTRONICS BASF SE (DE) 2012-01-12 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-20120007063-A1 USE OF DIBENZOFURANS AND DIBENZOTHIOPHENES SUBSTITUTED BY NITROGEN-BONDED FIVE-MEMBERED HETEROCYCLIC RINGS IN ORGANIC ELECTRONICS DDT, DBF4, POU5F1 GPR3 3124/4885KDM4E 1835/4885ADORA3 895/4885

“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.