SCHEMBL16474985

SCHEMBL16474985

CCn1ccc2c(-c3cnn(CCO)c3)cn(-c3ccc(OC(F)(F)F)cc3)c(=O)c21

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 3/20 0.43
▸ PDK2 Q15119 7/20 0.37
▸ ADORA2B P29275 6/20 0.36
▸ ADORA2A P29274 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ PDK1 Q15118 1/20 0.35
▸ PDK3 Q15120 1/20 0.35
▸ TRPA1 O75762 1/20 0.35
▸ MCHR1 Q99705 2/20 0.34
▸ NPBWR1 P48145 1/20 0.34

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
SCHEMBL18077656 0.90 PDK2 (0.35) ABL1PDK2PDK1PDK3
SCHEMBL16474446 0.88 ABL1 (0.42) ABL1TRPA1MCHR1NPBWR1
SCHEMBL16474983 0.88 ABL1 (0.42) ABL1TRPA1MCHR1NPBWR1
SCHEMBL16474962 0.82 MAPT (0.38) TRPA1MCHR1
SCHEMBL16475022 0.82 ABL1 (0.41) ABL1TRPA1MCHR1NPBWR1
SCHEMBL16474961 0.81 ABL1 (0.37) ABL1TRPA1MCHR1NPBWR1
SCHEMBL16475063 0.81 ABL1 (0.42) ABL1TRPA1MCHR1NPBWR1
SCHEMBL16475018 0.80 ABL1 (0.42) ABL1TRPA1MCHR1NPBWR1
SCHEMBL16474940 0.80 ABL1 (0.47) ABL1PDK2
SCHEMBL22421237 0.80 ADORA2B (0.39) ABL1ADORA2BADORA2AADORA1MCHR1

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
EP-2903991-B1 ANTI-FIBROTIC PYRIDINONES INTERMUNE INC (US) 2020-09-16 — — EP disclosed
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-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 ABL1 3203/4885PDK2 1258/4885ADORA2B 2395/4885
US-10544161-B2 Anti-fibrotic pyridinones MMP1, COL1A1, COL2A1 ABL1 3203/4885PDK2 1258/4885ADORA2B 2395/4885
US-20190321343-A1 Anti-Fibrotic Pyridinones MMP1, COL1A1, COL2A1 ABL1 3203/4885PDK2 1258/4885ADORA2B 2395/4885
US-20140107110-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 ABL1 3203/4885PDK2 1258/4885ADORA2B 2395/4885
US-20160263090-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 ABL1 3203/4885PDK2 1258/4885ADORA2B 2395/4885
US-10233195-B2 Anti-fibrotic pyridinones MMP1, COL1A1, COL2A1 ABL1 3203/4885PDK2 1258/4885ADORA2B 2395/4885
US-10376497-B2 Anti-fibrotic pyridinones MMP1, COL1A1, COL2A1 ABL1 3203/4885PDK2 1258/4885ADORA2B 2395/4885
US-20170121345-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 ABL1 3203/4885PDK2 1258/4885ADORA2B 2395/4885
US-20190144467-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 ABL1 3203/4885PDK2 1258/4885ADORA2B 2395/4885

“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.

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