SCHEMBL16475013

SCHEMBL16475013

CCn1cc(-c2cn(-c3ccc(OC(F)(F)F)cc3)c(=O)c3nc[nH]c23)cn1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 6/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ PDE3B Q13370 1/20 0.37
▸ PDE3A Q14432 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ PRKACA P17612 1/20 0.36
▸ PRKACG P22612 1/20 0.36
▸ PRKACB P22694 1/20 0.36
▸ PDK2 Q15119 2/20 0.35
▸ ABL1 P00519 6/20 0.35
▸ BCR P11274 2/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ GABRG2 P18507 1/20 0.34
▸ GABRB3 P28472 1/20 0.34
▸ GABRA3 P34903 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
SCHEMBL16479503 0.90 ABL1 (0.46) ADORA2BADORA2AADORA1PDK2ABL1
SCHEMBL18077725 0.89 MAPT (0.39) ADORA2BPDE3BPDE3AMAPTPRKACA
SCHEMBL16474448 0.88 ABL1 (0.42) ADORA2BPDE3BPDE3AABL1BCR
SCHEMBL16475011 0.85 PDE3B (0.36) ADORA2BADORA2AADORA1PDE3BPDE3A
SCHEMBL16474438 0.82 MAPT (0.44) PDE3BPDE3AMAPTGABRA1GABRG2
SCHEMBL16475014 0.82 ADORA2B (0.37) ADORA2BADORA2AADORA1PDE3BPDE3A
SCHEMBL19939600 0.81 ADORA2B (0.42) ADORA2BADORA2AADORA1MAPTABL1
SCHEMBL16475039 0.80 ABL1 (0.37) ADORA2BADORA2AADORA1PDE3BPDE3A
SCHEMBL17803745 0.80 ADORA2B (0.37) ADORA2BADORA2AADORA1PDE3BPDE3A
SCHEMBL18077689 0.79 MAPK1 (0.38) ADORA2BADORA2AADORA1PDE3BPDE3A

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 ADORA2B 2395/4885ADORA2A 1901/4885ADORA1 3592/4885
US-10544161-B2 Anti-fibrotic pyridinones MMP1, COL1A1, COL2A1 ADORA2B 2395/4885ADORA2A 1901/4885ADORA1 3592/4885
US-20190321343-A1 Anti-Fibrotic Pyridinones MMP1, COL1A1, COL2A1 ADORA2B 2395/4885ADORA2A 1901/4885ADORA1 3592/4885
US-20140107110-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 ADORA2B 2395/4885ADORA2A 1901/4885ADORA1 3592/4885
US-20160263090-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 ADORA2B 2395/4885ADORA2A 1901/4885ADORA1 3592/4885
US-10233195-B2 Anti-fibrotic pyridinones MMP1, COL1A1, COL2A1 ADORA2B 2395/4885ADORA2A 1901/4885ADORA1 3592/4885
US-10376497-B2 Anti-fibrotic pyridinones MMP1, COL1A1, COL2A1 ADORA2B 2395/4885ADORA2A 1901/4885ADORA1 3592/4885
US-20170121345-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 ADORA2B 2395/4885ADORA2A 1901/4885ADORA1 3592/4885
US-20190144467-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 ADORA2B 2395/4885ADORA2A 1901/4885ADORA1 3592/4885

“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