SCHEMBL5648348

SCHEMBL5648348

O=c1ccc2c(-c3ccccc3)csc2n1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.40
GRM1 Q13255 6/20 0.40
GSK3A P49840 3/20 0.38
GSK3B P49841 3/20 0.38
TGM2 P21980 3/20 0.37
MAPK1 P28482 1/20 0.37
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ERCC1 P07992 1/20 0.35
ERCC5 P28715 1/20 0.35
FEN1 P39748 1/20 0.35
ERCC4 Q92889 1/20 0.35
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
PDPK1 O15530 1/20 0.33

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
SCHEMBL5648611 0.75 NPC1 (0.54) NPC1RAB9AKMT2A
SCHEMBL2955543 0.75 CDK4 (0.42) GSK3AGSK3BMAPK1NPC1RAB9A
SCHEMBL2779688 0.74 MAPK14 (0.43) MAPK14GSK3AGSK3BGAAKMT2A
SCHEMBL5649021 0.70 KMT2A (0.39) MAPK14GSK3AGSK3BTGM2MAPK1
SCHEMBL5654089 0.70 KMT2A (0.38) MAPK14GSK3AGSK3BMAPK1NPC1
SCHEMBL5650705 0.68 KMT2A (0.43) GSK3AGSK3BMAPK1RAB9AKMT2A
SCHEMBL1267071 0.67 ALDH1A1 (0.43) MAPK14MAPK1NPC1RAB9AGAA
SCHEMBL2948995 0.67 FADS1 (0.42) GSK3BNPC1RAB9AGAAKMT2A
SCHEMBL5650413 0.67 ALDH1A1 (0.42) MAPK14GSK3AGSK3BMAPK1GAA
SCHEMBL5651010 0.66 KMT2A (0.35) MAPK14GSK3AGSK3BMAPK1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7176215-B2 Bicyclic oxopyridine and oxopyrimidine derivatives CELLTECH R&D LIMITED (GB) 2007-02-13 US claimed
US-20050059681-A1 Far field light microscopical method system and computer program product for analysing at least one object having a subwavelength size RUPRECHT-KARLS-UNIVERSITAT HEIDELBERG (DE) 2005-03-17 US claimed
US-20040254200-A1 Bicyclic oxopyridine and oxopyrimidine derivatives UCB PHARMA S.A. (BE) 2004-12-16 US claimed
US-7176215-B2 Bicyclic oxopyridine and oxopyrimidine derivatives CELLTECH R&D LIMITED (GB) 2007-02-13 US disclosed
US-20040254200-A1 Bicyclic oxopyridine and oxopyrimidine derivatives UCB PHARMA S.A. (BE) 2004-12-16 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 (2 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-20050059681-A1 Far field light microscopical method system and computer program product for analysing at least one object having a subwavelength size CFL1, INF2, COG6 MAPK14 4195/4885GRM1 1403/4885GSK3A 4879/4885
US-20040254200-A1 Bicyclic oxopyridine and oxopyrimidine derivatives MAPK1, ALK, NAT1 MAPK14 31/4885GRM1 689/4885GSK3A 1387/4885

“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.