SCHEMBL80846

SCHEMBL80846

CC1(C)c2cc(-c3ccccc3)ccc2-c2nc(-c3ccc4ccc(-c5ccccc5)nc4n3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.33
MAPT P10636 3/20 0.33
RAB9A P51151 3/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
ALK Q9UM73 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
PDK2 Q15119 1/20 0.33
FGFR1 P11362 1/20 0.33
NPC1 O15118 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
APAF1 O14727 1/20 0.32
LMNA P02545 1/20 0.32
THRB P10828 1/20 0.32
XBP1 P17861 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
SCHEMBL81202 0.91 PDK2 (0.38) MEN1MAPTRAB9AKMT2AKDM4E
SCHEMBL10037425 0.87 ESR1 (0.40) MEN1MAPTRAB9AKMT2AKDM4E
SCHEMBL13045226 0.86 PDK2 (0.40) ADORA3ADORA2AADORA1PDK2FGFR1
SCHEMBL81920 0.84 PDK2 (0.43) PDK2
SCHEMBL81482 0.84 PDK2 (0.43) PDK2
SCHEMBL80624 0.84 PDK2 (0.39) PDK2
SCHEMBL81145 0.84 PDK2 (0.39) PDK2
SCHEMBL12127175 0.84 PDK2 (0.40) MEN1MAPTRAB9AKMT2AKDM4E
SCHEMBL80773 0.83 PDK2 (0.38) PDK2
SCHEMBL82070 0.82 PIK3CD (0.37) KMT2AADORA3ADORA2AADORA1PDK2

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 8 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-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
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 MEN1 1980/4885MAPT 3499/4885RAB9A 2655/4885

“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.