SCHEMBL105275

SCHEMBL105275

COCCN(Cc1cccc(-c2cc3cccc(Oc4ccc([N+](=O)[O-])cc4F)c3s2)n1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 7/20 0.39
MAPT P10636 5/20 0.39
ALDH1A1 P00352 5/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
S1PR4 O95977 1/20 0.34
HSPB1 P04792 2/20 0.33
MAOA P21397 1/20 0.33
MST1R Q04912 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
KDR P35968 4/20 0.32
NTRK1 P04629 1/20 0.32
KIT P10721 1/20 0.32
AXL P30530 1/20 0.32
FLT3 P36888 1/20 0.32

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
SCHEMBL105274 1.00 MET (0.39) METMAPTALDH1A1MAPK1L3MBTL1
SCHEMBL16660463 0.91 MST1R (0.41) METMAPTALDH1A1MAPK1L3MBTL1
SCHEMBL16660462 0.82 MAPT (0.37) METMAPTALDH1A1MAPK1L3MBTL1
SCHEMBL16660464 0.82 MAPT (0.37) METMAPTALDH1A1MAPK1L3MBTL1
SCHEMBL171881 0.81 MST1R (0.50) METMST1RKDRNTRK1KIT
SCHEMBL3864631 0.78 MET (0.46) METMST1RKDRNTRK1KIT
SCHEMBL103974 0.77 HDAC3 (0.37) ALDH1A1POLBSMN1; SMN2MEN1LMNA
SCHEMBL3575098 0.76 MET (0.45) METMAPTPOLBSMN1; SMN2NPSR1
SCHEMBL107202 0.76 MST1R (0.51) METMST1RKDRNTRK1KIT
SCHEMBL107201 0.76 MST1R (0.51) METMST1RKDRNTRK1KIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2426108-B1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC (CA) 2016-08-10 EP disclosed
US-8907091-B2 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC. (CA) 2014-12-09 US disclosed
US-20130310564-A1 Processes and Intermediates for Preparing Fused Heterocyclic Kinase Inhibitors METHYLGENE INC. (CA) 2013-11-21 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
EP-2426108-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors MethylGene Inc. (CA) 2012-03-07 EP disclosed
US-20090286984-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors Mirati Therapeutics, Inc. 2009-11-19 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-20120095234-A1 PROCESSES AND INTERMEDIATES FOR PREPARING FUSED HETEROCYCLIC KINASE INHIBITORS MAP3K19, MAP3K9, MAP4K2 MET 1062/4885MAPT 1952/4885ALDH1A1 3152/4885
US-20130310564-A1 Processes and Intermediates for Preparing Fused Heterocyclic Kinase Inhibitors MAP3K19, MAP3K15, MAP3K9 MET 916/4885MAPT 1835/4885ALDH1A1 3373/4885
US-20090286984-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors MAP3K19, MAP3K9, MAP4K2 MET 1062/4885MAPT 1952/4885ALDH1A1 3152/4885

“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.