SCHEMBL16474765

SCHEMBL16474765

COc1cccc(-n2cc(-c3c(C)n[nH]c3C)ccc2=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 2/20 0.48
▸ ROCK1 Q13464 1/20 0.48
▸ CYP1A2 P05177 1/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ PKM P14618 1/20 0.42
▸ BRD4 O60885 1/20 0.42
▸ CHRNE Q04844 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ HTT P42858 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ CHEK1 O14757 1/20 0.40
▸ AKT2 P31751 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ TSHR P16473 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39

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
SCHEMBL16474773 0.87 HPGD (0.42) ROCK2ROCK1SMN1; SMN2MEN1KMT2A
SCHEMBL14883625 0.87 CHEK1 (0.43) CYP1A2SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL16474768 0.85 CHEK1 (0.41) CYP1A2KMT2AALDH1A1BRD4KDM4E
SCHEMBL10059875 0.84 AKT2 (0.55) CYP1A2MEN1KMT2AALDH1A1BRD4
SCHEMBL18077740 0.82 CHEK1 (0.39) ROCK2ROCK1CYP1A2ALDH1A1BRD4
SCHEMBL16474769 0.82 HTT (0.48) CYP1A2SMN1; SMN2MEN1KMT2AHTT
SCHEMBL10059862 0.79 MKNK1 (0.44) PKMKDM4ECHEK1GAAMAPT
SCHEMBL16474778 0.78 CHEK1 (0.43) CYP1A2ALDH1A1BRD4KDM4ECHEK1
SCHEMBL16474692 0.77 BRD4 (0.56) SMN1; SMN2MEN1KMT2AALDH1A1PKM
SCHEMBL16474770 0.77 NOTUM (0.41) ROCK2ROCK1KMT2ACHEK1AKT2

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10544161-B2 Anti-fibrotic pyridinones INTERMUNE, INC. (US) 2020-01-28 — — US disclosed
US-20190321343-A1 Anti-Fibrotic Pyridinones GENENTECH, INC. 2019-10-24 — — US disclosed
US-10376497-B2 Anti-fibrotic pyridinones INTERMUNE, INC. (US) 2019-08-13 — — US disclosed
US-20190144467-A1 ANTI-FIBROTIC PYRIDINONES GENENTECH, INC. 2019-05-16 — — US disclosed
US-10233195-B2 Anti-fibrotic pyridinones INTERMUNE, INC. (US) 2019-03-19 — — US disclosed
US-20180064692-A1 Anti-Fibrotic Pyridinones GENENTECH, INC. 2018-03-08 — — US disclosed
US-20180064692-A1 Anti-Fibrotic Pyridinones GENENTECH, INC. 2018-03-08 — — US disclosed
US-9675593-B2 Anti-fibrotic pyridinones INTERMUNE, INC. (US) 2017-06-13 — — US disclosed
US-9675593-B2 Anti-fibrotic pyridinones INTERMUNE, INC. (US) 2017-06-13 — — US disclosed
US-20170121345-A1 ANTI-FIBROTIC PYRIDINONES GENENTECH, INC. 2017-05-04 — — US disclosed
US-20170121345-A1 ANTI-FIBROTIC PYRIDINONES GENENTECH, INC. 2017-05-04 — — US disclosed
US-20160263090-A1 ANTI-FIBROTIC PYRIDINONES GENENTECH, INC. 2016-09-15 — — US disclosed
US-20160263090-A1 ANTI-FIBROTIC PYRIDINONES GENENTECH, INC. 2016-09-15 — — US disclosed
US-9359379-B2 Anti-fibrotic pyridinones INTERMUNE, INC. (US) 2016-06-07 — — US disclosed
US-9359379-B2 Anti-fibrotic pyridinones INTERMUNE, INC. (US) 2016-06-07 — — US disclosed
WO-2015153683-A1 ANTI-FIBROTIC PYRIDINONES INTERMUNE, INC. (US) 2015-10-08 — — WO disclosed
US-20140107110-A1 ANTI-FIBROTIC PYRIDINONES GENENTECH, INC. 2014-04-17 — — US disclosed
US-20140107110-A1 ANTI-FIBROTIC PYRIDINONES GENENTECH, INC. 2014-04-17 — — 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 (9 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-20180064692-A1 Anti-Fibrotic Pyridinones MMP1, COL1A1, COL2A1 ROCK2 1113/4885ROCK1 1075/4885CYP1A2 3249/4885
US-10544161-B2 Anti-fibrotic pyridinones MMP1, COL1A1, COL2A1 ROCK2 1113/4885ROCK1 1075/4885CYP1A2 3249/4885
US-20190321343-A1 Anti-Fibrotic Pyridinones MMP1, COL1A1, COL2A1 ROCK2 1113/4885ROCK1 1075/4885CYP1A2 3249/4885
US-20140107110-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 ROCK2 1113/4885ROCK1 1075/4885CYP1A2 3249/4885
US-20160263090-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 ROCK2 1113/4885ROCK1 1075/4885CYP1A2 3249/4885
US-10233195-B2 Anti-fibrotic pyridinones MMP1, COL1A1, COL2A1 ROCK2 1113/4885ROCK1 1075/4885CYP1A2 3249/4885
US-10376497-B2 Anti-fibrotic pyridinones MMP1, COL1A1, COL2A1 ROCK2 1113/4885ROCK1 1075/4885CYP1A2 3249/4885
US-20170121345-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 ROCK2 1113/4885ROCK1 1075/4885CYP1A2 3249/4885
US-20190144467-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 ROCK2 1113/4885ROCK1 1075/4885CYP1A2 3249/4885

“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.

Send feedback