SCHEMBL16475239

SCHEMBL16475239

Cc1cc(=O)[nH]cc1-c1cn(C)nc1C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.41
LRRK2 Q5S007 1/20 0.40
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
ALDH1A1 P00352 2/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
S1PR2 O95136 6/20 0.36
BRD4 O60885 1/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.33
KIT P10721 1/20 0.33

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
SCHEMBL16479494 0.81 PDE3B (0.42) PRMT5WDR77ALDH1A1PDE3BPDE3A
SCHEMBL13575379 0.73 AURKA (0.49) LRRK2BRD4
SCHEMBL791112 0.64
SCHEMBL16475240 0.64 NNMT (0.43) COMTS1PR2
SCHEMBL16475094 0.63 PARP1 (0.48) ALDH1A1PDE3BPDE3AGAAMAPT
SCHEMBL24464275 0.63 ALDH1A1 (0.41) COMTALDH1A1GAAMAPTHTT
SCHEMBL30143564 0.61 COMT (0.41) COMTLRRK2PRMT5WDR77ALDH1A1
SCHEMBL31267949 0.61 BRAF (0.46) COMTPDE3BPDE3A
SCHEMBL30877476 0.61 COMT (0.56) COMTLRRK2PRMT5WDR77ALDH1A1
SCHEMBL15639818 0.61 TNKS2 (0.49) ALDH1A1PDE3BPDE3AMAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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 (3 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-20140107110-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 COMT 4725/4885LRRK2 2148/4885PRMT5 1291/4885
US-20160263090-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 COMT 4725/4885LRRK2 2148/4885PRMT5 1291/4885
US-20170121345-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 COMT 4725/4885LRRK2 2148/4885PRMT5 1291/4885

“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.