SCHEMBL19953872

SCHEMBL19953872

c1ccc(N2c3ccccc3C3(c4ccccc4-c4ccc(-c5ccc6c(c5)C5(c7cc(-c8ccc9c(c8)C8(c%10ccccc%10-9)c9ccccc9N(c9ccccc9)c9ccccc98)ccc7-6)c6ccccc6N(c6ccccc6)c6ccccc65)cc43)c3ccccc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 15/20 0.41
ALDH1A1 P00352 3/20 0.37
CES2 O00748 1/20 0.37
BCHE P06276 1/20 0.37
GAA P10253 1/20 0.37
CES1 P23141 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PGR P06401 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
THPO P40225 1/20 0.34
ADAMTS5 Q9UNA0 1/20 0.34

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
SCHEMBL19953906 1.00 PDK2 (0.41) PDK2ALDH1A1CES2BCHEGAA
SCHEMBL21578531 0.94 PDK2 (0.38) PDK2ALDH1A1CES2BCHEGAA
SCHEMBL24293093 0.93 PDK2 (0.43) PDK2ALDH1A1NPSR1
SCHEMBL22595642 0.92 PDK2 (0.48) PDK2PGRCYP1A2
SCHEMBL17197536 0.91 PDK2 (0.43) PDK2NPSR1
SCHEMBL808381 0.90 PDK2 (0.40) PDK2
SCHEMBL21394194 0.89 PDK2 (0.40) PDK2ALDH1A1ADAMTS5
SCHEMBL21394191 0.89 PDK2 (0.40) PDK2ALDH1A1ADAMTS5
SCHEMBL24905091 0.89 PDK2 (0.40) PDK2
SCHEMBL24904840 0.89 PDK2 (0.40) PDK2NPSR1ADAMTS5

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-20190177303-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-06-13 US disclosed
US-9917270-B1 Organic electroluminescent device having an exciton quenching layer CYNORA GMBH (DE) 2018-03-13 US disclosed
US-9917270-B1 Organic electroluminescent device having an exciton quenching layer CYNORA GMBH (DE) 2018-03-13 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-20190177303-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, ORC3, OR51E2 PDK2 4139/4885ALDH1A1 542/4885CES2 1607/4885

“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.