SCHEMBL16474541

SCHEMBL16474541

Cn1cc(-c2cn(-c3ccc(OC(F)(F)F)cc3)c(=O)cc2OCCN2CCOCC2=O)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.46
PDE3B Q13370 2/20 0.42
PDE3A Q14432 2/20 0.42
ABL1 P00519 5/20 0.38
MCHR1 Q99705 3/20 0.38
CHRM5 P08912 1/20 0.38
BCR P11274 1/20 0.37
FGFR2 P21802 2/20 0.37
FGFR3 P22607 2/20 0.37
NTRK1 P04629 4/20 0.36
NTRK2 Q16620 4/20 0.36
KCNH2 Q12809 4/20 0.36
NTRK3 Q16288 3/20 0.36
SCN1A P35498 1/20 0.34
SCN4A P35499 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
SCN8A Q9UQD0 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
SCHEMBL18077702 0.90 PDK2 (0.44) PDK2PDE3BPDE3AMCHR1
SCHEMBL16474538 0.88 ABL1 (0.48) PDE3BPDE3AABL1MCHR1BCR
SCHEMBL16474483 0.88 PDK2 (0.48) PDK2PDE3BPDE3AABL1MCHR1
SCHEMBL16474536 0.88 PDK2 (0.53) PDK2PDE3BPDE3AABL1MCHR1
SCHEMBL16474535 0.84 MAPK14 (0.48) PDE3BPDE3AABL1MCHR1KCNH2
SCHEMBL16474544 0.83 MCHR1 (0.42) PDE3BPDE3AABL1MCHR1CHRM5
SCHEMBL16474534 0.83 ABL1 (0.46) PDK2PDE3BPDE3AABL1MCHR1
SCHEMBL16474542 0.81 MCHR1 (0.41) PDE3BPDE3AABL1MCHR1CHRM5
SCHEMBL16474894 0.81 ABL1 (0.46) PDE3BPDE3AABL1MCHR1CHRM5
SCHEMBL16474510 0.80 ABL1 (0.49) PDE3BPDE3AABL1MCHR1CHRM5

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 PDK2 1258/4885PDE3B 301/4885PDE3A 576/4885
US-10544161-B2 Anti-fibrotic pyridinones MMP1, COL1A1, COL2A1 PDK2 1258/4885PDE3B 301/4885PDE3A 576/4885
US-20190321343-A1 Anti-Fibrotic Pyridinones MMP1, COL1A1, COL2A1 PDK2 1258/4885PDE3B 301/4885PDE3A 576/4885
US-20140107110-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 PDK2 1258/4885PDE3B 301/4885PDE3A 576/4885
US-20160263090-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 PDK2 1258/4885PDE3B 301/4885PDE3A 576/4885
US-10233195-B2 Anti-fibrotic pyridinones MMP1, COL1A1, COL2A1 PDK2 1258/4885PDE3B 301/4885PDE3A 576/4885
US-10376497-B2 Anti-fibrotic pyridinones MMP1, COL1A1, COL2A1 PDK2 1258/4885PDE3B 301/4885PDE3A 576/4885
US-20170121345-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 PDK2 1258/4885PDE3B 301/4885PDE3A 576/4885
US-20190144467-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 PDK2 1258/4885PDE3B 301/4885PDE3A 576/4885

“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.