SCHEMBL81490

SCHEMBL81490

CC1(C)c2ccccc2-c2nc(-c3cccc(-c4cccc(-c5ccc6c(n5)-c5ccccc5C6(C)C)c4)c3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 7/20 0.33
KMT2A Q03164 4/20 0.33
ENPP3 O14638 1/20 0.33
RAB9A P51151 3/20 0.32
MEN1 O00255 3/20 0.32
RARA P10276 2/20 0.32
RARB P10826 2/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 3/20 0.32
NPC1 O15118 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 2/20 0.32
POLB P06746 1/20 0.32
PKM P14618 1/20 0.32
RARG P13631 1/20 0.31
MLNR O43193 1/20 0.31
NR1I2 O75469 1/20 0.31

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
SCHEMBL80242 1.00 PDK2 (0.33) PDK2KMT2AENPP3RAB9AMEN1
SCHEMBL10036759 0.98 KMT2A (0.34) PDK2KMT2AENPP3RAB9AMEN1
SCHEMBL81159 0.94 PDK2 (0.39) PDK2ENPP3
SCHEMBL80238 0.94 PDK2 (0.36) PDK2ENPP3RARARARBRARG
SCHEMBL81461 0.94 PDK2 (0.39) PDK2ENPP3
SCHEMBL81053 0.94 PDK2 (0.39) PDK2ENPP3
SCHEMBL81689 0.94 RARA (0.33) PDK2KMT2AENPP3RAB9AMEN1
SCHEMBL80800 0.94 KMT2A (0.36) PDK2KMT2ARAB9AMEN1RARB
SCHEMBL82037 0.92 KMT2A (0.35) PDK2KMT2ARAB9AMEN1RARB
SCHEMBL80742 0.91 KMT2A (0.35) PDK2KMT2ARAB9AMEN1RARA

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 PDK2 663/4885KMT2A 699/4885ENPP3 2486/4885

“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.