SCHEMBL13629372

SCHEMBL13629372

C=Cc1ccc(OC)nc1C=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.40
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PDE10A Q9Y233 6/20 0.34
NNMT P40261 1/20 0.34
CYP1A2 P05177 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TRIM24 O15164 1/20 0.33
TYR P14679 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
BTK Q06187 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
SIRT1 Q96EB6 1/20 0.31

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
SCHEMBL4320020 0.76 ERN1 (0.41) ERN1POLBTDP1NNMTCYP1A2
SCHEMBL4980644 0.76 ERN1 (0.46) ERN1POLBTDP1NNMTCYP1A2
SCHEMBL2261210 0.76 CYP1A2 (0.44) ERN1POLBTDP1PDE10ANNMT
SCHEMBL23887458 0.74 MAP4K4 (0.36) POLBTDP1PDE10ANNMTCYP1A2
SCHEMBL30266908 0.74 MAP4K4 (0.36) POLBTDP1PDE10ANNMTCYP1A2
SCHEMBL29950831 0.74 ERN1 (0.44) ERN1POLBTDP1NNMTCYP1A2
SCHEMBL29432648 0.74 ERN1 (0.42) ERN1POLBTDP1PDE10ANNMT
SCHEMBL29957674 0.74 NFE2L2 (0.40) ERN1POLBTDP1PDE10ANNMT
SCHEMBL20531048 0.74 ERN1 (0.42) ERN1POLBTDP1PDE10ANNMT
SCHEMBL28997057 0.74 NFE2L2 (0.40) ERN1POLBTDP1PDE10ANNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291941-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2009-11-26 US disclosed
US-20090291941-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2009-11-26 US disclosed
US-20090131423-A1 Tyrosine Kinase Inhibitors MERCK & CO., INC. (US) 2009-05-21 US disclosed
US-20090131423-A1 Tyrosine Kinase Inhibitors MERCK & CO., INC. (US) 2009-05-21 US disclosed
WO-2007050383-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2007-05-03 WO disclosed
WO-2007050401-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2007-05-03 WO 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 (2 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-20090291941-A1 Tyrosine Kinase Inhibitors ABL1, ERBB2, RET ERN1 1995/4885POLB 1954/4885TDP1 1496/4885
US-20090131423-A1 Tyrosine Kinase Inhibitors ABL1, ERBB2, MET ERN1 1292/4885POLB 1852/4885TDP1 1249/4885

“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.