SCHEMBL610467

SCHEMBL610467

C=CCSc1ccc2nccc(-n3cccn3)c2c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
G6PD P11413 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC40A1 Q9NP59 1/20 0.32
MPO P05164 1/20 0.31
HPGD P15428 1/20 0.31
BMX P51813 1/20 0.30
BTK Q06187 1/20 0.30

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
SCHEMBL26216337 0.72 NCF1 (0.52) NPC1MAPK1KDM4ELMNAALDH1A1
SCHEMBL957883 0.70 NPC1 (0.59) NPC1MAPK1KDM4ELMNAALDH1A1
SCHEMBL30754697 0.70 NPC1 (0.59) NPC1MAPK1KDM4ELMNAALDH1A1
SCHEMBL7713819 0.70 MAPK1 (0.44) NPC1MAPK1KDM4ELMNAALDH1A1
SCHEMBL28275208 0.66 NPC1 (0.50) NPC1MAPK1KDM4ELMNAALDH1A1
SCHEMBL26216334 0.65 ALK (0.44) NPC1MAPK1KDM4ELMNAALDH1A1
SCHEMBL9603303 0.63 MAPT (0.32) ALDH1A1MAPT
SCHEMBL1147625 0.62 LOXL2 (0.43) NPC1LMNAMEN1GAAMAPT
SCHEMBL4169913 0.61 GAA (0.43) NPC1MAPK1KDM4EALDH1A1MEN1
SCHEMBL31525897 0.61 LMNA (0.51) NPC1MAPK1KDM4ELMNAALDH1A1

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-20160060249-A1 QUINOLYL AMINES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-03-03 US disclosed
EP-2603218-B1 QUINOLYL AMINES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2016-03-02 EP disclosed
US-20140256949-A1 QUINOLYL AMINES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-09-11 US disclosed
EP-2603218-A1 QUINOLYL AMINES AS KINASE INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2013-06-19 EP disclosed
WO-2012021580-A1 QUINOLYL AMINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2012-02-16 WO disclosed
US-20120041024-A1 QUINOLYL AMINES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2012-02-16 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-20120041024-A1 QUINOLYL AMINES AS KINASE INHIBITORS ABL1, MAP3K20, MAP3K19 NPC1 3988/4885MAPK1 81/4885KDM4E 542/4885
US-20160060249-A1 QUINOLYL AMINES AS KINASE INHIBITORS ABL1, MAP3K20, MAP3K19 NPC1 3988/4885MAPK1 81/4885KDM4E 542/4885
US-20140256949-A1 QUINOLYL AMINES AS KINASE INHIBITORS ABL1, MAP3K20, MAP3K19 NPC1 3988/4885MAPK1 81/4885KDM4E 542/4885

“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.