SCHEMBL81257

SCHEMBL81257

CC1(C)c2ccc(-c3ccc4ccccc4n3)cc2-c2nc(-c3cnc4ccccc4c3)cc(-c3cnc4ccccc4c3)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
PDGFRB P09619 3/20 0.38
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
PDGFRA P16234 2/20 0.37
NR2F2 P24468 1/20 0.37
MAP4K4 O95819 1/20 0.37
CSNK1G2 P78368 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
MAP4K5 Q9Y4K4 1/20 0.37
MAPT P10636 2/20 0.36
HSF1 Q00613 1/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL82066 0.82 NPC1 (0.45) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL82016 0.76 PDGFRB (0.41) PDGFRBPDGFRANR2F2MAP4K4CSNK1G2
SCHEMBL80362 0.75 NPC1 (0.45) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL2681535 0.75 PDGFRB (0.56) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL29419045 0.75 PDGFRB (0.56) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL82033 0.73 PDGFRB (0.36) NPC1PDGFRBPDGFRANR2F2MAP4K4
SCHEMBL23016340 0.71 PIK3CD (0.55) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL80784 0.71 NPC1 (0.45) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL80859 0.70 NPC1 (0.40) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL19768070 0.69 MAP4K4 (0.45) PDGFRBPDGFRANR2F2MAP4K4CSNK1G2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129899-B1 Azafluorene derivative and organic light-emitting device using the derivative CANON KABUSHIKI KAISHA (JP) 2012-03-06 US disclosed
US-8129899-B1 Azafluorene derivative and organic light-emitting device using the derivative CANON KABUSHIKI KAISHA (JP) 2012-03-06 US disclosed
US-20120049176-A1 AZAFLUORENE DERIVATIVE AND ORGANIC LIGHT-EMITTING DEVICE USING THE DERIVATIVE CANON KABUSHIKI KAISHA (JP) 2012-03-01 US disclosed
US-20120049176-A1 AZAFLUORENE DERIVATIVE AND ORGANIC LIGHT-EMITTING DEVICE USING THE DERIVATIVE CANON KABUSHIKI KAISHA (JP) 2012-03-01 US disclosed
US-8110685-B2 Efficient, durable electron transport layers; low driving voltage; simple, low cost production CANON KABUSHIKI KAISHA (JP) 2012-02-07 US disclosed
US-20080154040-A1 AZAFLUORENE DERIVATIVE AND ORGANIC LIGHT-EMITTING DEVICE USING THE DERIVATIVE CANON KABUSHIKI KAISHA (JP) 2008-06-26 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-20080154040-A1 AZAFLUORENE DERIVATIVE AND ORGANIC LIGHT-EMITTING DEVICE USING THE DERIVATIVE AZI2, CYP1A2, CYP2C19 NPC1 4088/4885RAB9A 2655/4885KDM4E 852/4885

“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.