SCHEMBL13104682

SCHEMBL13104682

CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc(-c4ccc5c(c4)sc4cc(-c6cc(N(c7ccccc7)c7ccc8c(c7)C(C)(C)c7ccccc7-8)cc(N(c7cc(-c8ccccc8)cc(-c8ccccc8)c7)c7ccc8c(c7)C(C)(C)c7ccccc7-8)c6)ccc45)cc(N(c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)cc21

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.32
ABCB1 P08183 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
SCHEMBL13104635 0.97 PDK2 (0.33) PDK2
SCHEMBL12960103 0.93 PDK2 (0.33) PDK2ABCB1
SCHEMBL19429326 0.92 PDK2 (0.31) PDK2
SCHEMBL19103189 0.91 PDK2 (0.32) PDK2
SCHEMBL19152430 0.90 PDK2 (0.36) PDK2ABCB1
SCHEMBL19448856 0.90 ALDH1A1 (0.32) PDK2ABCB1
SCHEMBL21863076 0.89 ABCB1 (0.35) PDK2ABCB1
SCHEMBL21791449 0.89 ABCB1 (0.35) PDK2ABCB1
SCHEMBL13104688 0.89 PDK2 (0.40) PDK2
SCHEMBL13104681 0.89 PDK2 (0.38) PDK2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7807277-B2 Amine compound and organic light-emitting device CANON KABUSHIKI KAISHA (JP) 2010-10-05 US disclosed
US-7807277-B2 Amine compound and organic light-emitting device CANON KABUSHIKI KAISHA (JP) 2010-10-05 US disclosed
US-20080124573-A1 AMINE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2008-05-29 US disclosed
US-20080124573-A1 AMINE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2008-05-29 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-20080124573-A1 AMINE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE AHR, HTR1D, TPH1 PDK2 3523/4885ABCB1 4293/4885

“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.