SCHEMBL81167

SCHEMBL81167

CC1(C)c2ccccc2-c2nc(-c3ccc4c(n3)-c3ncccc3C4(C)C)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.43
KMT2A Q03164 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
PTPRC P08575 2/20 0.38
CTSL P07711 1/20 0.38
CTSS P25774 1/20 0.38
PTPN13 Q12923 1/20 0.38
TDP2 O95551 1/20 0.37
NSD2 O96028 1/20 0.37
ABL1 P00519 1/20 0.37
PLCG1 P19174 1/20 0.37
CES1 P23141 1/20 0.37
PAX8 Q06710 1/20 0.37
RIN1 Q13671 1/20 0.37
GAA P10253 2/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 2/20 0.33
THRB P10828 2/20 0.33

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
SCHEMBL80360 0.89 HTR2A (0.37) PDK2KMT2ACYP1A2CYP2C19MEN1
SCHEMBL80888 0.88 PDK2 (0.39) PDK2KMT2ACYP1A2CYP2C19GAA
SCHEMBL81220 0.88 PDK2 (0.42) PDK2KMT2ACYP1A2CYP2C19PTPRC
SCHEMBL81168 0.86 PDK2 (0.38) PDK2KMT2ACYP1A2CYP2C19GAA
SCHEMBL80388 0.85 PDK2 (0.40) PDK2KMT2ACYP1A2CYP2C19GAA
SCHEMBL82020 0.85 PDK2 (0.37) PDK2KMT2ACYP1A2CYP2C19GAA
SCHEMBL80361 0.85 GABRG2 (0.39) PDK2KMT2ACYP1A2CYP2C19
SCHEMBL80821 0.85 PDK2 (0.42) PDK2KMT2ACYP1A2CYP2C19GAA
SCHEMBL81228 0.85 PDK2 (0.42) PDK2KMT2ACYP1A2CYP2C19GAA
SCHEMBL80812 0.85 PDK2 (0.42) PDK2KMT2ACYP1A2CYP2C19GAA

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-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 699/4885CYP1A2 2/4885

“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.