SCHEMBL108014

SCHEMBL108014

COCCNCc1ccc(-c2cc3cccc(Cl)c3s2)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.45
MET P08581 2/20 0.42
AXL P30530 2/20 0.42
KDR P35968 2/20 0.42
FLT3 P36888 2/20 0.42
NTRK1 P04629 1/20 0.42
KIT P10721 1/20 0.42
NTRK2 Q16620 1/20 0.42
CD274 Q9NZQ7 2/20 0.41
PDCD1 Q15116 1/20 0.41
MST1R Q04912 2/20 0.40
PLK4 O00444 1/20 0.40
MAP4K4 O95819 1/20 0.40
ABL1 P00519 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
LYN P07948 1/20 0.40
HCK P08631 1/20 0.40
PDGFRB P09619 1/20 0.40
BCR P11274 1/20 0.40

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
SCHEMBL12251980 0.83 MET (0.53) HDAC1METAXLKDRFLT3
SCHEMBL12251974 0.76 MET (0.47) HDAC1METAXLKDRFLT3
SCHEMBL172056 0.76 MET (0.53) HDAC1METAXLKDRFLT3
SCHEMBL12229027 0.71 MET (0.42) HDAC1METAXLKDRFLT3
SCHEMBL18542862 0.71 MET (0.68) HDAC1METAXLKDRFLT3
SCHEMBL3617576 0.70 L3MBTL1 (0.54) CD274PDCD1L3MBTL1HTT
SCHEMBL6509767 0.69 HDAC1 (0.73) HDAC1CYP3A4
SCHEMBL12254309 0.69 KDR (0.56) HDAC1METAXLKDRFLT3
SCHEMBL13169037 0.68 MET (0.68) METAXLKDRFLT3NTRK1
SCHEMBL18291272 0.67 L3MBTL1 (0.50) HDAC1CD274PDCD1L3MBTL1HTT

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
EP-2426108-B1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC (CA) 2016-08-10 EP disclosed
US-9018378-B2 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC. (CA) 2015-04-28 US 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 HDAC1 3154/4885MET 1062/4885AXL 418/4885
US-20130310564-A1 Processes and Intermediates for Preparing Fused Heterocyclic Kinase Inhibitors MAP3K19, MAP3K15, MAP3K9 HDAC1 3141/4885MET 916/4885AXL 375/4885
US-20090286984-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors MAP3K19, MAP3K9, MAP4K2 HDAC1 3154/4885MET 1062/4885AXL 418/4885

“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.