SCHEMBL16474682

SCHEMBL16474682

O=c1ccc(-c2ccccc2)cn1-c1cncnc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.47
ATM Q13315 1/20 0.47
CYP1A2 P05177 3/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
BLM P54132 1/20 0.42
HSD17B10 Q99714 1/20 0.42
EPHB4 P54760 1/20 0.40
TEK Q02763 1/20 0.40
FAAH O00519 1/20 0.37
MGLL Q99685 1/20 0.37
PDE10A Q9Y233 1/20 0.37
TNKS O95271 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
TSHR P16473 2/20 0.35
CYP3A4 P08684 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
HDAC4 P56524 1/20 0.35
GRM5 P41594 1/20 0.35

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
SCHEMBL10059518 0.87 KDM4E (0.50) IDH1ATMCYP1A2ALDH1A1KDM4E
SCHEMBL10059508 0.85 HRH3 (0.39) CYP1A2ALDH1A1HSD17B10HRH3TSHR
SCHEMBL10059898 0.85 KDM4E (0.40) CYP1A2ALDH1A1KDM4ETSHRCYP3A4
SCHEMBL10059899 0.82 CYP1A2 (0.43) ATMCYP1A2HSD17B10TSHRCYP3A4
SCHEMBL10021078 0.82 ALDH1A1 (0.60) IDH1ATMCYP1A2ALDH1A1KDM4E
SCHEMBL16474694 0.81 APP (0.40) CYP1A2ALDH1A1KDM4EHSD17B10TSHR
SCHEMBL16474681 0.81 IDH1 (0.49) IDH1CYP1A2ALDH1A1KDM4EHPGD
SCHEMBL10059585 0.81 CYP2A6 (0.50) CYP1A2ALDH1A1KDM4EHPGDBLM
SCHEMBL10078772 0.80 CA2 (0.51)
SCHEMBL10059597 0.80 KDR (0.41) CYP1A2ALDH1A1KDM4EHPGDBLM

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 19 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-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 IDH1 2593/4885ATM 2658/4885CYP1A2 3249/4885
US-10544161-B2 Anti-fibrotic pyridinones MMP1, COL1A1, COL2A1 IDH1 2593/4885ATM 2658/4885CYP1A2 3249/4885
US-20190321343-A1 Anti-Fibrotic Pyridinones MMP1, COL1A1, COL2A1 IDH1 2593/4885ATM 2658/4885CYP1A2 3249/4885
US-20140107110-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 IDH1 2593/4885ATM 2658/4885CYP1A2 3249/4885
US-20160263090-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 IDH1 2593/4885ATM 2658/4885CYP1A2 3249/4885
US-10233195-B2 Anti-fibrotic pyridinones MMP1, COL1A1, COL2A1 IDH1 2593/4885ATM 2658/4885CYP1A2 3249/4885
US-10376497-B2 Anti-fibrotic pyridinones MMP1, COL1A1, COL2A1 IDH1 2593/4885ATM 2658/4885CYP1A2 3249/4885
US-20170121345-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 IDH1 2593/4885ATM 2658/4885CYP1A2 3249/4885
US-20190144467-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 IDH1 2593/4885ATM 2658/4885CYP1A2 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.