SCHEMBL20174528

SCHEMBL20174528

c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6-c6sc7ccccc7c65)cc4)n3)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 9/20 0.36
ROCK1 Q13464 1/20 0.34
ALOX5 P09917 1/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
GLA P06280 1/20 0.32
LIMK1 P53667 1/20 0.31

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
SCHEMBL20174517 1.00 PDK2 (0.36) PDK2ROCK1ALOX5MEN1ALDH1A1
SCHEMBL20174467 0.98 PDK2 (0.34) PDK2ROCK1ALOX5MEN1ALDH1A1
SCHEMBL22326533 0.97 MEN1 (0.34) PDK2ROCK1ALOX5MEN1ALDH1A1
SCHEMBL20174445 0.97 MEN1 (0.34) PDK2ROCK1ALOX5MEN1ALDH1A1
SCHEMBL20174476 0.95 MEN1 (0.35) PDK2ROCK1ALOX5MEN1ALDH1A1
SCHEMBL20174519 0.95 MEN1 (0.36) PDK2ROCK1ALOX5MEN1ALDH1A1
SCHEMBL20179277 0.94 MEN1 (0.37) PDK2ROCK1ALOX5MEN1ALDH1A1
SCHEMBL20174524 0.94 MEN1 (0.37) PDK2ROCK1ALOX5MEN1ALDH1A1
SCHEMBL20174518 0.94 MEN1 (0.37) PDK2ROCK1ALOX5MEN1ALDH1A1
SCHEMBL20174448 0.94 MEN1 (0.36) PDK2ROCK1ALOX5MEN1ALDH1A1

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 651/4885ROCK1 3360/4885ALOX5 2705/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG PDK2 651/4885ROCK1 3360/4885ALOX5 2705/4885

“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.