SCHEMBL20174296

SCHEMBL20174296

c1ccc2c(c1)-c1ccc(-c3ccncc3)cc1C21c2ccccc2-c2oc3ccccc3c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 7/20 0.46
MAPK14 Q16539 1/20 0.39
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
PIK3CA P42336 1/20 0.33
PLA2G2A P14555 1/20 0.33
PLA2G4A P47712 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 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
SCHEMBL20174272 0.91 MAPK14 (0.39) PDK2MAPK14GSK3BKDM4ENPC1
SCHEMBL20174284 0.85 PDK2 (0.39) PDK2PLA2G2APLA2G4AMAPK1CYP19A1
SCHEMBL22326557 0.84 PDK2 (0.36) PDK2PLA2G2APLA2G4AKDM4EALDH1A1
SCHEMBL20174273 0.84 PDK2 (0.36) PDK2PLA2G2APLA2G4AKDM4EALDH1A1
SCHEMBL20174341 0.84 KDM4E (0.35) PDK2KDM4EALDH1A1MAPTHPGD
SCHEMBL20174211 0.84 PDK2 (0.34) PDK2PLA2G2APLA2G4AKDM4EALDH1A1
SCHEMBL20198958 0.84 PDK2 (0.34) PDK2PLA2G2APLA2G4AALOX5
SCHEMBL20174806 0.84 PDK2 (0.34) PDK2PLA2G2APLA2G4AALOX5
SCHEMBL18590010 0.83 PLA2G2A (0.36) PDK2PLA2G2APLA2G4AKDM4EALDH1A1
SCHEMBL20174279 0.83 MEN1 (0.36) PDK2PLA2G2APLA2G4AKDM4EALDH1A1

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.