SCHEMBL22037459

SCHEMBL22037459

c1ccc(-c2nc(-c3ccc(-c4cccnc4)cc3)nc(-c3ccc(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 6/20 0.48
ALDH1A1 P00352 5/20 0.40
MAPT P10636 3/20 0.40
TSHR P16473 2/20 0.40
POLB P06746 1/20 0.40
MKNK1 Q9BUB5 3/20 0.39
MKNK2 Q9HBH9 3/20 0.39
TP53 P04637 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 2/20 0.39
HPGD P15428 2/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP19A1 P11511 2/20 0.37
CYP2A6 P11509 2/20 0.37
CYP17A1 P05093 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
TNF P01375 1/20 0.36

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
SCHEMBL22038969 1.00 PDK2 (0.48) PDK2ALDH1A1MAPTTSHRPOLB
SCHEMBL22038385 0.98 PDK2 (0.48) PDK2ALDH1A1MAPTTSHRPOLB
SCHEMBL22037907 0.95 PDK2 (0.45) PDK2ALDH1A1MAPTTSHRPOLB
SCHEMBL22037394 0.95 PDK2 (0.45) PDK2ALDH1A1MAPTTSHRPOLB
SCHEMBL22038930 0.94 PDK2 (0.46) PDK2ALDH1A1MAPTTSHRPOLB
SCHEMBL22037545 0.94 PDK2 (0.46) PDK2ALDH1A1MAPTMKNK1MKNK2
SCHEMBL20323363 0.94 PDK2 (0.46) PDK2ALDH1A1MAPTTSHRPOLB
SCHEMBL22037438 0.93 PDK2 (0.45) PDK2ALDH1A1MAPTTSHRPOLB
SCHEMBL22038493 0.93 PDK2 (0.45) PDK2ALDH1A1MAPTTSHRPOLB
SCHEMBL20690841 0.93 PDK2 (0.43) PDK2ALDH1A1MAPTTSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200168805-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME DOOSAN CORPORATION (KR) 2020-05-28 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-20200168805-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ELOVL1, ELOVL6, ELOVL5 PDK2 2857/4885ALDH1A1 781/4885MAPT 883/4885

“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.