SCHEMBL20199210

SCHEMBL20199210

c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)-c4sc6ccccc6c4C54c5ccccc5-c5ccccc54)cc3)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.34
PDK2 Q15119 1/20 0.33
ITGA4 P13612 1/20 0.33
NAPEPLD Q6IQ20 1/20 0.33
F9 P00740 1/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE7A Q13946 1/20 0.31
PDE3A Q14432 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
LIMK1 P53667 1/20 0.30
PTPN1 P18031 1/20 0.30
PIM3 Q86V86 1/20 0.30
MEN1 O00255 1/20 0.30
APAF1 O14727 1/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL20199178 0.92 ALOX5 (0.32) ALOX5PDK2
SCHEMBL20174846 0.92 PDK2 (0.36) ALOX5PDK2F9PDE4APDE4B
SCHEMBL20199171 0.92 PDK2 (0.36) ALOX5PDK2F9PDE4APDE4B
SCHEMBL20199169 0.91 PDK2 (0.34) ALOX5PDK2
SCHEMBL20199107 0.91 ALOX5 (0.33) ALOX5PDK2ITGA4NAPEPLDF9
SCHEMBL20174860 0.91 PDK2 (0.34) ALOX5PDK2
SCHEMBL20174858 0.90 PDK2 (0.35) ALOX5PDK2
SCHEMBL20174821 0.90 PDK2 (0.33) ALOX5PDK2
SCHEMBL20199207 0.90 PDK2 (0.30) PDK2
SCHEMBL20174809 0.90 ALOX5 (0.33) ALOX5PDK2F9

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-10781366-B2 Spiro compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2020-09-22 US disclosed
US-20180148639-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-31 US disclosed
US-20180148639-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-31 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-10781366-B2 Spiro compound and organic light-emitting device comprising same CRY1, NR2E3, ERG ALOX5 2705/4885PDK2 651/4885ITGA4 489/4885
US-20180148639-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG ALOX5 2705/4885PDK2 651/4885ITGA4 489/4885

“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.