SCHEMBL22037568

SCHEMBL22037568

c1ccc(-c2nc(-c3ccc(-c4cccnc4)cc3)nc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 5/20 0.47
MKNK1 Q9BUB5 2/20 0.40
MKNK2 Q9HBH9 2/20 0.40
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 3/20 0.40
TP53 P04637 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TSHR P16473 2/20 0.39
POLB P06746 1/20 0.39
CYP19A1 P11511 2/20 0.38
CYP2A6 P11509 2/20 0.38
CYP17A1 P05093 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
USP1 O94782 4/20 0.38

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
SCHEMBL22037905 1.00 PDK2 (0.47) PDK2MKNK1MKNK2ALDH1A1SMN1; SMN2
SCHEMBL22038355 0.95 PDK2 (0.45) PDK2MKNK1MKNK2ALDH1A1SMN1; SMN2
SCHEMBL22038089 0.95 PDK2 (0.50) PDK2MKNK1MKNK2ALDH1A1SMN1; SMN2
SCHEMBL22037457 0.95 PDK2 (0.50) PDK2MKNK1MKNK2ALDH1A1SMN1; SMN2
SCHEMBL22037907 0.93 PDK2 (0.45) PDK2MKNK1MKNK2ALDH1A1SMN1; SMN2
SCHEMBL22037394 0.93 PDK2 (0.45) PDK2MKNK1MKNK2ALDH1A1SMN1; SMN2
SCHEMBL24039781 0.92 PDK2 (0.44) PDK2MKNK1MKNK2ALDH1A1SMN1; SMN2
SCHEMBL22037967 0.92 PDK2 (0.47) PDK2MKNK1MKNK2ALDH1A1SMN1; SMN2
SCHEMBL22038364 0.92 PDK2 (0.47) PDK2MKNK1MKNK2ALDH1A1SMN1; SMN2
SCHEMBL23643177 0.91 PDK2 (0.42) PDK2MKNK1MKNK2ALDH1A1SMN1; SMN2

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 2857/4885MKNK1 3566/4885MKNK2 3943/4885

“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.