SCHEMBL20174419

SCHEMBL20174419

c1ccc2c(c1)-c1ccc(-c3ccncc3)cc1C21c2ccccc2-c2c1oc1ccccc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 8/20 0.46
MAPK14 Q16539 1/20 0.37
CDC7 O00311 1/20 0.34
ROCK2 O75116 1/20 0.34
MAP4K4 O95819 1/20 0.34
PRKACA P17612 1/20 0.34
CDK2 P24941 1/20 0.34
GSK3B P49841 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
ALK Q9UM73 2/20 0.33
PIK3CA P42336 1/20 0.33
IMPDH2 P12268 1/20 0.32
CYP19A1 P11511 1/20 0.32
AAK1 Q2M2I8 2/20 0.32

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
SCHEMBL20174403 0.87 PDK2 (0.43) PDK2ALK
SCHEMBL20199301 0.87 PDK2 (0.45) PDK2
SCHEMBL20174354 0.86 PDK2 (0.37) PDK2
SCHEMBL20174322 0.85 PDK2 (0.39) PDK2CYP19A1
SCHEMBL20174398 0.85 PDK2 (0.39) PDK2CYP19A1
SCHEMBL20174361 0.85 PDK2 (0.39) PDK2CYP19A1
SCHEMBL20174342 0.84 KMT2A (0.37) PDK2
SCHEMBL20174393 0.84 KMT2A (0.37) PDK2
SCHEMBL19008461 0.84 KMT2A (0.37) PDK2
SCHEMBL20174918 0.84 PDK2 (0.34) PDK2ALK

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-10738034-B2 Spiro compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2020-08-11 US disclosed
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-24 US disclosed
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING 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-10738034-B2 Spiro compound and organic light-emitting device comprising same CRY1, NR2E3, ERG PDK2 651/4885MAPK14 3746/4885CDC7 2661/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG PDK2 651/4885MAPK14 3746/4885CDC7 2661/4885

“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.