SCHEMBL20174469

SCHEMBL20174469

c1ccc(-c2ccc(-c3cc(-c4ccc5c(c4)-c4sc6ccccc6c4C54c5ccccc5-c5ccccc54)cc(-c4ccccc4)n3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 8/20 0.37
ROCK1 Q13464 1/20 0.35
ALOX5 P09917 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP19A1 P11511 1/20 0.33
DHODH Q02127 1/20 0.32
LIMK1 P53667 1/20 0.32
PIM3 Q86V86 1/20 0.31
MCL1 Q07820 1/20 0.31
ACACA Q13085 1/20 0.31
F9 P00740 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
SCHEMBL20174449 1.00 PDK2 (0.37) PDK2ROCK1ALOX5MEN1KMT2A
SCHEMBL20174472 1.00 PDK2 (0.37) PDK2ROCK1ALOX5MEN1KMT2A
SCHEMBL20174523 0.94 PDK2 (0.39) PDK2ROCK1ALOX5MEN1KMT2A
SCHEMBL20174450 0.92 MEN1 (0.38) PDK2ROCK1ALOX5MEN1KMT2A
SCHEMBL20174474 0.92 MEN1 (0.38) PDK2ROCK1ALOX5MEN1KMT2A
SCHEMBL20174444 0.92 PDK2 (0.36) PDK2ROCK1ALOX5ACACAF9
SCHEMBL20174473 0.90 PDK2 (0.35) PDK2ROCK1ALOX5MEN1KMT2A
SCHEMBL22326536 0.90 MEN1 (0.38) PDK2ROCK1ALOX5MEN1KMT2A
SCHEMBL20174488 0.90 MEN1 (0.38) PDK2ROCK1ALOX5MEN1KMT2A
SCHEMBL22326568 0.90 CYP1A1 (0.36) 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-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.