SCHEMBL20174468

SCHEMBL20174468

c1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4c-5sc5ccccc45)cc3)cc(-c3cccc4ccccc34)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 9/20 0.36
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ROCK1 Q13464 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
ENPP3 O14638 1/20 0.30
ENPP1 P22413 1/20 0.30
F9 P00740 1/20 0.30
ALOX5 P09917 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
SCHEMBL20179384 0.95 PDK2 (0.33) PDK2MEN1KMT2A
SCHEMBL20174523 0.95 PDK2 (0.39) PDK2MEN1KMT2AROCK1ALOX5
SCHEMBL20174451 0.93 MEN1 (0.34) PDK2MEN1KMT2AROCK1CA12
SCHEMBL20174444 0.93 PDK2 (0.36) PDK2ROCK1F9ALOX5
SCHEMBL20174506 0.91 CYP1A1 (0.37) PDK2ROCK1
SCHEMBL20174453 0.91 MEN1 (0.33) PDK2MEN1KMT2A
SCHEMBL20174472 0.90 PDK2 (0.37) PDK2MEN1KMT2AROCK1F9
SCHEMBL20174469 0.90 PDK2 (0.37) PDK2MEN1KMT2AROCK1F9
SCHEMBL20174449 0.90 PDK2 (0.37) PDK2MEN1KMT2AROCK1F9
SCHEMBL20174466 0.88 ALDH1A1 (0.33) PDK2MEN1KMT2AENPP3ENPP1

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 651/4885MEN1 611/4885KMT2A 1480/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG PDK2 651/4885MEN1 611/4885KMT2A 1480/4885

“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.