SCHEMBL171901

SCHEMBL171901

COCCNCc1ccc(C)nc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
CD274 Q9NZQ7 3/20 0.50
P4HTM Q9NXG6 1/20 0.46
PDCD1 Q15116 2/20 0.44
SCN8A Q9UQD0 2/20 0.43
GAA P10253 1/20 0.41
BRAF P15056 1/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
AKT1 P31749 1/20 0.40
HTT P42858 1/20 0.40
IL6 P05231 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NAMPT P43490 1/20 0.38
PRKCQ Q04759 1/20 0.38
PRKCD Q05655 1/20 0.38

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
SCHEMBL14747737 0.84 KDM4E (0.48) CD274PDCD1SCN8AGAAHTT
SCHEMBL29487186 0.82 L3MBTL1 (0.50) L3MBTL1CD274P4HTMPDCD1SCN8A
SCHEMBL3617576 0.82 L3MBTL1 (0.54) L3MBTL1CD274P4HTMPDCD1GAA
SCHEMBL12558344 0.82 L3MBTL1 (0.50) L3MBTL1CD274P4HTMPDCD1SCN8A
SCHEMBL18291272 0.82 L3MBTL1 (0.50) L3MBTL1CD274P4HTMPDCD1BRAF
SCHEMBL103374 0.82 L3MBTL1 (0.50) L3MBTL1CD274P4HTMPDCD1SCN8A
SCHEMBL20037908 0.82 L3MBTL1 (0.50) L3MBTL1CD274P4HTMPDCD1SCN8A
SCHEMBL14747536 0.81 GAA (0.44) CD274PDCD1SCN8AGAANAMPT
SCHEMBL14019803 0.80 L3MBTL1 (0.59) L3MBTL1CD274P4HTMPDCD1BRAF
SCHEMBL20249217 0.80 L3MBTL1 (0.48) L3MBTL1CD274P4HTMPDCD1SCN8A

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
WO-2016194831-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF 帝人ファーマ株式会社 2016-12-08 WO disclosed
US-20130310564-A1 Processes and Intermediates for Preparing Fused Heterocyclic Kinase Inhibitors METHYLGENE INC. (CA) 2013-11-21 US disclosed
US-8389541-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2013-03-05 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-20080255155-A1 KINASE INHIBITORS AND USES THEREOF METHLYGENE INC. (CA) 2008-10-16 US disclosed
US-20080004273-A1 Inhibitors of protein tyrosine kinase activity METHYLGENE, INC. (CA) 2008-01-03 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 (4 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 L3MBTL1 3216/4885CD274 2250/4885P4HTM 3079/4885
US-20130310564-A1 Processes and Intermediates for Preparing Fused Heterocyclic Kinase Inhibitors MAP3K19, MAP3K15, MAP3K9 L3MBTL1 2927/4885CD274 1885/4885P4HTM 3260/4885
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF ABL1, MAP3K20, MAP3K1 L3MBTL1 1652/4885CD274 1500/4885P4HTM 2994/4885
US-20080004273-A1 Inhibitors of protein tyrosine kinase activity HGF, ERBB2, MET L3MBTL1 3690/4885CD274 984/4885P4HTM 1647/4885

“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.