SCHEMBL9976760

SCHEMBL9976760

Cc1ccc2ccc3c(cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc(C)nc43)c2n1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 5/20 0.34
SLC40A1 Q9NP59 1/20 0.33
CCR1 P32246 1/20 0.33
RAB9A P51151 1/20 0.33
CCR5 P51681 1/20 0.33
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TGFBR1 P36897 3/20 0.31
ADORA1 P30542 2/20 0.30
ADORA2A P29274 1/20 0.30
METAP2 P50579 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
SCHEMBL9976740 0.95 PDK2 (0.36) PDK2MAPTL3MBTL1TGFBR1ADORA1
SCHEMBL9976764 0.87 PDK2 (0.36) PDK2CCR1CCR5L3MBTL1TGFBR1
SCHEMBL24654452 0.85 PDK2 (0.36) PDK2SLC40A1CCR1RAB9ACCR5
SCHEMBL9976749 0.81 PDK2 (0.35) PDK2RAB9AMAPTADORA1ADORA2A
SCHEMBL12429149 0.79 PDK2 (0.37) PDK2
SCHEMBL9976741 0.79 PDK2 (0.35) PDK2MAPT
SCHEMBL17875437 0.78 PDK2 (0.40) PDK2RAB9AMAPTL3MBTL1ADORA1
SCHEMBL24654359 0.78 PDK2 (0.34) PDK2CCR1RAB9ACCR5
SCHEMBL9976739 0.78 PDK2 (0.35) PDK2
SCHEMBL17875542 0.76 PDK2 (0.41) PDK2ADORA1

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 523/4885SLC40A1 3113/4885CCR1 2478/4885

“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.