SCHEMBL20173123

SCHEMBL20173123

Cc1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-c4cc5c6ccccc6c6ccccc6c5cc42)c2cc(N(c4ccccc4)c4ccc(C)cc4)ccc2-3)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 6/20 0.37
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
PTPRC P08575 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
SCHEMBL17929496 0.97 PDK2 (0.35) PDK2KDM4EMAPTESR1ESR2
SCHEMBL20172977 0.93 PDK2 (0.38) PDK2KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL17929495 0.92 PDK2 (0.38) PDK2KDM4EMAPTESR1ESR2
SCHEMBL21982571 0.92 PDK2 (0.33) PDK2
SCHEMBL20173126 0.91 PDK2 (0.39) PDK2
SCHEMBL20218474 0.91 PDK2 (0.36) PDK2ESR1ESR2PTPRC
SCHEMBL15618076 0.91 PDK2 (0.43) PDK2KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL12249764 0.91 PDK2 (0.43) PDK2KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL12325035 0.91 PDK2 (0.43) PDK2KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL12292340 0.91 PDK2 (0.43) PDK2KDM4EALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10651411-B2 Compound and organic light emitting device containing same LG CHEM, LTD. (KR) 2020-05-12 US disclosed
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-05-24 US disclosed
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-05-24 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 (2 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-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME CRY1, CRY2, OR10J3 PDK2 2535/4885KDM4E 1258/4885ALDH1A1 87/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 PDK2 2535/4885KDM4E 1258/4885ALDH1A1 87/4885

“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.