SCHEMBL16474618

SCHEMBL16474618

Cc1cc(=O)n(-c2cccc3c2OCCO3)cc1-c1cnn(C)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.37
▸ CCKAR P32238 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ MAP3K5 Q99683 1/20 0.36
▸ GRM2 Q14416 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ NQO2 P16083 1/20 0.36

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
SCHEMBL16474623 0.92 CYP19A1 (0.46) BRD4CHRM1IRAK4GRM2CYP19A1
SCHEMBL16474575 0.83 HTR1A (0.42) CCKARHTR1A
SCHEMBL16474607 0.81 NPC1 (0.41) BRD4MAP3K5
SCHEMBL16474616 0.78 CHRM1 (0.46) BRD4CHRM1GRM2
SCHEMBL16474608 0.75 BRD9 (0.44) BRD4CYP19A1NQO2
SCHEMBL10059850 0.74 BRD4 (0.48) BRD4GRM2NQO2
SCHEMBL16474576 0.74 CYP19A1 (0.44) HTR1ACYP19A1NQO2
SCHEMBL13284705 0.73 TNIK (0.40) BRD4GRM2
SCHEMBL16474628 0.73 FGFR3 (0.41) BRD4CHRM1GRM2
SCHEMBL13075773 0.72 LCK (0.41) BRD4GRM2

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 BRD4 588/4885CCKAR 4631/4885CHRM1 2733/4885
US-10544161-B2 Anti-fibrotic pyridinones MMP1, COL1A1, COL2A1 BRD4 588/4885CCKAR 4631/4885CHRM1 2733/4885
US-20190321343-A1 Anti-Fibrotic Pyridinones MMP1, COL1A1, COL2A1 BRD4 588/4885CCKAR 4631/4885CHRM1 2733/4885
US-20140107110-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 BRD4 588/4885CCKAR 4631/4885CHRM1 2733/4885
US-20160263090-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 BRD4 588/4885CCKAR 4631/4885CHRM1 2733/4885
US-10233195-B2 Anti-fibrotic pyridinones MMP1, COL1A1, COL2A1 BRD4 588/4885CCKAR 4631/4885CHRM1 2733/4885
US-10376497-B2 Anti-fibrotic pyridinones MMP1, COL1A1, COL2A1 BRD4 588/4885CCKAR 4631/4885CHRM1 2733/4885
US-20170121345-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 BRD4 588/4885CCKAR 4631/4885CHRM1 2733/4885
US-20190144467-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 BRD4 588/4885CCKAR 4631/4885CHRM1 2733/4885

“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