SCHEMBL20199171

SCHEMBL20199171

c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4c-5sc5ccccc45)cc3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 11/20 0.36
ALOX5 P09917 1/20 0.33
APP P05067 1/20 0.30
F9 P00740 1/20 0.30
ROCK1 Q13464 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
PDE3B Q13370 1/20 0.30
PDE7A Q13946 1/20 0.30
PDE3A Q14432 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
SCHEMBL20174846 1.00 PDK2 (0.36) PDK2ALOX5APPF9ROCK1
SCHEMBL20199169 0.99 PDK2 (0.34) PDK2ALOX5APP
SCHEMBL20174860 0.99 PDK2 (0.34) PDK2ALOX5APP
SCHEMBL20174858 0.98 PDK2 (0.35) PDK2ALOX5
SCHEMBL20174859 0.97 PDK2 (0.34) PDK2ALOX5
SCHEMBL20174840 0.97 PDK2 (0.33) PDK2ALOX5APP
SCHEMBL20174821 0.96 PDK2 (0.33) PDK2ALOX5
SCHEMBL20174814 0.96 ALOX5 (0.33) PDK2ALOX5APPF9
SCHEMBL20174820 0.96 ALOX5 (0.33) PDK2ALOX5APPF9
SCHEMBL20174809 0.96 ALOX5 (0.33) PDK2ALOX5APPF9

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 PDK2 651/4885ALOX5 2705/4885APP 2417/4885
US-20180148639-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG PDK2 651/4885ALOX5 2705/4885APP 2417/4885

“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.