SCHEMBL2605685

SCHEMBL2605685

CCNC(=O)CC(=O)N(CC)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
GLA P06280 1/20 0.58
TSHR P16473 1/20 0.58
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
TP53 P04637 2/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL14817542 0.85 ALDH1A1 (0.59) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL19026667 0.83 ALDH1A1 (0.58) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL308738 0.82 ALDH1A1 (0.66) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL2605743 0.81 ALDH1A1 (0.54) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL965733 0.81 MEN1 (0.67) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL10622511 0.81 ALDH1A1 (0.63) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL2605741 0.81 ALDH1A1 (0.54) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL13927157 0.81 ALDH1A1 (0.54) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL341786 0.79 ALDH1A1 (0.61) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL2030599 0.78 ALDH1A1 (0.70) ALDH1A1GLATSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846927-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2014-09-30 US disclosed
US-8569503-B2 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC. (CA) 2013-10-29 US disclosed
US-20120095234-A1 PROCESSES AND INTERMEDIATES FOR PREPARING FUSED HETEROCYCLIC KINASE INHIBITORS Mirati Therapeutics, Inc. 2012-04-19 US disclosed
US-8093264-B2 Fused heterocycles as inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-01-10 US disclosed
US-20110257100-A1 Inhibitors of Protein Tyrosine Kinase Activity METHYLGENE INC. (CA) 2011-10-20 US disclosed
US-20090286984-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors Mirati Therapeutics, Inc. 2009-11-19 US disclosed
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF METHLYGENE INC. (CA) 2008-10-16 US disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 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 (5 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-20120095234-A1 PROCESSES AND INTERMEDIATES FOR PREPARING FUSED HETEROCYCLIC KINASE INHIBITORS MAP3K19, MAP3K9, MAP4K2 ALDH1A1 3152/4885GLA 4112/4885TSHR 1749/4885
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling HGF, MET, FLT1 ALDH1A1 1649/4885GLA 2918/4885TSHR 396/4885
US-20090286984-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors MAP3K19, MAP3K9, MAP4K2 ALDH1A1 3152/4885GLA 4112/4885TSHR 1749/4885
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF ABL1, MAP3K20, MAP3K1 ALDH1A1 3553/4885GLA 2331/4885TSHR 3891/4885
US-20110257100-A1 Inhibitors of Protein Tyrosine Kinase Activity ERBB2, ABL1, FLT1 ALDH1A1 4061/4885GLA 2803/4885TSHR 1143/4885

“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.