SCHEMBL20199102

SCHEMBL20199102

c1ccc(N(c2cccc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4c3oc3ccccc43)c2)c2ccc3c(c2)oc2ccccc23)cc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PDK2 Q15119 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
SCHEMBL20199046 0.94 PDK2 (0.34) PDK2
SCHEMBL20174904 0.93 PDK2 (0.34) PDK2
SCHEMBL20174870 0.92 PDK2 (0.32) PDK2
SCHEMBL20174917 0.91 PDK2 (0.35) PDK2
SCHEMBL20174896 0.91 PDK2 (0.35) PDK2
SCHEMBL20175227 0.91 PDK2 (0.36) MEN1THRBRECQLBLMKMT2A
SCHEMBL23449538 0.90 PDK2 (0.36) MEN1THRBRECQLBLMKMT2A
SCHEMBL20174902 0.90 PDK2 (0.33) PDK2
SCHEMBL20174918 0.90 PDK2 (0.34) PDK2
SCHEMBL23675935 0.90 PDK2 (0.31) PDK2

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 MEN1 611/4885THRB 1979/4885RECQL 2635/4885
US-20180148639-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG MEN1 611/4885THRB 1979/4885RECQL 2635/4885

“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.