SCHEMBL81678

SCHEMBL81678

CC1(C)c2ccc(-c3ccc4c(n3)C(C)(C)c3ccc(-c5ccc6c(n5)C(C)(C)c5ccccc5-6)cc3-4)cc2-c2cccnc21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 11/20 0.40
TGFBR1 P36897 2/20 0.32
DHODH Q02127 1/20 0.31
KDM4E B2RXH2 2/20 0.31
NPC1 O15118 2/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
RECQL P46063 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL80478 0.91 PDK2 (0.35) PDK2
SCHEMBL10037430 0.91 PDK2 (0.35) PDK2
SCHEMBL81682 0.85 PDK2 (0.37) PDK2
SCHEMBL81677 0.81 PDK2 (0.42) PDK2NPC1ALDH1A1MAPTRAB9A
SCHEMBL9963989 0.80 PDK2 (0.41) PDK2KDM4ENPC1MEN1ALDH1A1
SCHEMBL81603 0.80 PDK2 (0.32) PDK2
SCHEMBL81702 0.77 PDK2 (0.39) PDK2TGFBR1KMT2A
SCHEMBL92299 0.77 PDK2 (0.44) PDK2KDM4ENPC1ALDH1A1RAB9A
SCHEMBL14065151 0.76 PDK2 (0.56) PDK2KDM4ENPC1POLBTDP1
SCHEMBL22373894 0.76 PDK2 (0.36) PDK2TGFBR1ALDH1A1

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 5 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-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 663/4885TGFBR1 2076/4885DHODH 269/4885

“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.