SCHEMBL9976740

SCHEMBL9976740

Cc1ccc2c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc3c(cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc(C)nc43)c2n1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 7/20 0.36
TGFBR1 P36897 4/20 0.33
ADORA1 P30542 3/20 0.33
ADORA2A P29274 3/20 0.33
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL9976760 0.95 PDK2 (0.34) PDK2TGFBR1ADORA1ADORA2AMAPT
SCHEMBL9976764 0.92 PDK2 (0.36) PDK2TGFBR1L3MBTL1
SCHEMBL9976749 0.86 PDK2 (0.35) PDK2ADORA1ADORA2AMAPT
SCHEMBL24654452 0.85 PDK2 (0.36) PDK2TGFBR1
SCHEMBL12429149 0.83 PDK2 (0.37) PDK2
SCHEMBL9976741 0.83 PDK2 (0.35) PDK2MAPT
SCHEMBL9976739 0.82 PDK2 (0.35) PDK2
SCHEMBL9976732 0.80 COMT (0.39) PDK2L3MBTL1
SCHEMBL9980024 0.80 PDK2 (0.42) PDK2TGFBR1
SCHEMBL17875437 0.80 PDK2 (0.40) PDK2ADORA1ADORA2AMAPTL3MBTL1

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-8877354-B2 Heterocyclic compound and organic light-emitting device using the same CANON KABUSHIKI KAISHA (JP) 2014-11-04 US disclosed
US-8877354-B2 Heterocyclic compound and organic light-emitting device using the same CANON KABUSHIKI KAISHA (JP) 2014-11-04 US disclosed
US-20120153270-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING THE SAME CANON KABUSHIKI KAISHA (JP) 2012-06-21 US disclosed
US-20120153270-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING THE SAME CANON KABUSHIKI KAISHA (JP) 2012-06-21 US disclosed
WO-2011024391-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING THE SAME CANON KABUSHIKI KAISHA (JP) 2011-03-03 WO 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-20120153270-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING THE SAME ORC3, CYP1A1, CRY1 PDK2 523/4885TGFBR1 1040/4885ADORA1 2171/4885

“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.