SCHEMBL168052

SCHEMBL168052

Nc1cccc2c1cnn2C1CCCCO1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.51
CRBN Q96SW2 1/20 0.51
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
CYP4F2 P78329 4/20 0.38
CYP4A11 Q02928 4/20 0.38
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
ATR Q13535 8/20 0.36
GAA P10253 1/20 0.35
MAP3K5 Q99683 1/20 0.34
RET P07949 1/20 0.34
SCN9A Q15858 1/20 0.33

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
SCHEMBL31628652 0.84 RXRA (0.42) DDB1CRBNALDH1A1LMNAPOLB
SCHEMBL1193030 0.84 RXRA (0.42) DDB1CRBNALDH1A1LMNAPOLB
SCHEMBL476884 0.84 RXRA (0.42) DDB1CRBNALDH1A1LMNAPOLB
SCHEMBL156398 0.84 RXRA (0.42) DDB1CRBNALDH1A1LMNAPOLB
SCHEMBL29416187 0.84 RXRA (0.42) DDB1CRBNALDH1A1LMNAPOLB
SCHEMBL1141884 0.84 RXRA (0.45) DDB1CRBNALDH1A1LMNAPOLB
SCHEMBL4572292 0.84 CYP4F2 (0.46) ALDH1A1LMNAPOLBRXRARXRB
SCHEMBL3868044 0.83 RXRA (0.43) DDB1CRBNALDH1A1LMNAPOLB
SCHEMBL27764686 0.83 RXRA (0.42) DDB1CRBNALDH1A1LMNAPOLB
SCHEMBL22499301 0.82 RXRA (0.44) DDB1CRBNALDH1A1LMNAPOLB

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12612387-B2 RAS inhibitors and methods of using the same JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2026-04-28 US disclosed
US-12435090-B2 Compounds, pharmaceutical compositions, and methods of preparing compounds and of their use REPARE THERAPEUTICS INC. (CA) 2025-10-07 US disclosed
US-20230339910-A1 RAS INHIBITORS AND METHODS OF USING THE SAME JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2023-10-26 US disclosed
US-20230339910-A1 RAS INHIBITORS AND METHODS OF USING THE SAME JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2023-10-26 US disclosed
US-20230339910-A1 RAS INHIBITORS AND METHODS OF USING THE SAME JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2023-10-26 US disclosed
US-20230122909-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF PREPARING COMPOUNDS AND OF THEIR USE REPARE THERAPEUTICS INC. (CA) 2023-04-20 US disclosed
EP-4097095-A1 RAS INHIBITORS AND METHODS OF USING THE SAME Jazz Pharmaceuticals Ireland Limited (IE) 2022-12-07 EP disclosed
WO-2021152149-A1 RAS INHIBITORS AND METHODS OF USING THE SAME JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2021-08-05 WO disclosed
EP-2424859-B1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC (US) 2015-04-08 EP disclosed
EP-2424859-B1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC (US) 2015-04-08 EP disclosed
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR AMGEN INC. (US) 2013-03-28 US disclosed
US-8362241-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2013-01-29 US disclosed
US-8362241-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2013-01-29 US disclosed
US-8362241-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2013-01-29 US disclosed
EP-2424859-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR Amgen, Inc (US) 2012-03-07 EP disclosed
WO-2010126895-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC. (US) 2010-11-04 WO disclosed
WO-2010126895-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC. (US) 2010-11-04 WO disclosed
US-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR AMGEN INC. (US) 2010-10-28 US disclosed
US-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR AMGEN INC. (US) 2010-10-28 US disclosed
US-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR AMGEN INC. (US) 2010-10-28 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 (6 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-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR MTOR, PIK3CA, PIK3CD DDB1 3458/4885CRBN 1445/4885ALDH1A1 4256/4885
US-20230122909-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF PREPARING COMPOUNDS AND OF THEIR USE PLK1, CSNK1A1, CSNK1G1 DDB1 840/4885CRBN 571/4885ALDH1A1 4093/4885
US-12612387-B2 RAS inhibitors and methods of using the same KRAS, NRAS, HRAS DDB1 144/4885CRBN 238/4885ALDH1A1 2058/4885
US-20230339910-A1 RAS INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS DDB1 165/4885CRBN 851/4885ALDH1A1 3682/4885
US-12435090-B2 Compounds, pharmaceutical compositions, and methods of preparing compounds and of their use PLK1, CSNK1A1, CSNK1G1 DDB1 840/4885CRBN 571/4885ALDH1A1 4093/4885
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR MTOR, PIK3CA, PIK3CD DDB1 3458/4885CRBN 1445/4885ALDH1A1 4256/4885

“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.