SCHEMBL80334

SCHEMBL80334

CC1(C)c2ccccc2-c2nc(-c3cccc(-c4ccc5c(n4)-c4ccccc4C5(C)C)n3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
PDK2 Q15119 5/20 0.35
CCR1 P32246 2/20 0.34
CCR8 P51685 2/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
ALPL P05186 1/20 0.34
HSP90AA1 P07900 1/20 0.34
ALPI P09923 1/20 0.34
ALPG P10696 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
CCR5 P51681 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MLNR O43193 1/20 0.34
NR1I2 O75469 1/20 0.34

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
SCHEMBL80901 1.00 KMT2A (0.36) KMT2APDK2CCR1CCR8KDM4E
SCHEMBL80360 0.95 HTR2A (0.37) KMT2APDK2MLNRNR1I2CHRM2
SCHEMBL81041 0.89 HTR2A (0.36) KMT2APDK2MLNRNR1I2CHRM2
SCHEMBL82041 0.89 KMT2A (0.37) KMT2APDK2MLNRNR1I2CHRM2
SCHEMBL81599 0.89 KMT2A (0.37) KMT2APDK2MLNRNR1I2CHRM2
SCHEMBL80893 0.87 MLNR (0.33) KMT2APDK2MLNRNR1I2CHRM2
SCHEMBL80357 0.86 MLNR (0.34) KMT2APDK2KDM4ETDP1MLNR
SCHEMBL80800 0.86 KMT2A (0.36) KMT2APDK2KDM4EMLNRNR1I2
SCHEMBL81037 0.86 MLNR (0.34) KMT2APDK2KDM4ETP53SMN1; SMN2
SCHEMBL80354 0.86 KMT2A (0.36) KMT2APDK2MLNRNR1I2CHRM2

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 KMT2A 699/4885PDK2 663/4885CCR1 4781/4885

“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.