SCHEMBL6933563

SCHEMBL6933563

Cn1c(CS)nc(-c2ccncc2)c(-c2cccc(C(F)(F)F)c2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 4/20 0.43
GRIN2B Q13224 4/20 0.43
TGFBR1 P36897 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAPK11 Q15759 2/20 0.41
MAPK14 Q16539 2/20 0.41
MAPK9 P45984 2/20 0.41
MAP4K4 O95819 1/20 0.41
FRK P42685 1/20 0.41
CSNK1A1 P48729 1/20 0.41
CSNK1D P48730 1/20 0.41
CDC42BPA Q5VT25 1/20 0.41
MINK1 Q8N4C8 1/20 0.41
MAP4K5 Q9Y4K4 1/20 0.41
MAPK13 O15264 1/20 0.41
RAF1 P04049 1/20 0.41
MAPK12 P53778 1/20 0.41
PTPN11 Q06124 1/20 0.40
SLC11A2 P49281 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
SCHEMBL5791511 0.86 MAPK9 (0.47) GRIN1GRIN2BTGFBR1NPC1RAB9A
SCHEMBL5788934 0.84 GRIN1 (0.45) GRIN1GRIN2BTGFBR1NPC1RAB9A
SCHEMBL5788057 0.83 TGFBR1 (0.43) GRIN1GRIN2BTGFBR1NPC1RAB9A
Hydrochloric Acid SCHEMBL6935269 0.83 GRIN1 (0.45) GRIN1GRIN2BTGFBR1NPC1RAB9A
SCHEMBL5790262 0.82 MAPK14 (0.45) GRIN1GRIN2BTGFBR1NPC1RAB9A
SCHEMBL6933561 0.81 TGFBR1 (0.43) GRIN1GRIN2BTGFBR1NPC1RAB9A
SCHEMBL6935697 0.78 MAPK14 (0.51) MAPK11MAPK14CSNK1DMAPK13MAPK12
SCHEMBL6936810 0.75 MAPK9 (0.55) GRIN1GRIN2BMAPK11MAPK14MAPK9
SCHEMBL8170389 0.75 MAPK9 (0.53) GRIN1GRIN2BTGFBR1NPC1RAB9A
SCHEMBL6936125 0.73 MAPK9 (0.79) MAPK14MAPK9MAP4K4FRKCSNK1A1

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-6649604-B2 Analgesics; antidiabetic agents; antiinflamamtory agents AMGEN INC. 2003-11-18 US disclosed
US-20030073704-A1 Substituted pyridone compounds and methods of use AMGEN INC. 2003-04-17 US disclosed
US-6420385-B1 INFLAMMATORY, PAIN AND DIABETES DISEASES, AMGEN INC. 2002-07-16 US disclosed
US-6096753-A Substituted pyrimidinone and pyridone compounds and methods of use AMGEN INC. (US) 2000-08-01 US disclosed
EP-0948496-A2 SUBSTITUTED PYRIMIDINONE AND PYRIDONE COMPOUNDS AND METHODS OF USE Amgen inc. (US) 1999-10-13 EP disclosed
WO-1998024780-A2 SUBSTITUTED PYRIMIDINONE AND PYRIDINONE COMPOUNDS AND THEIR USE AMGEN INC. (US) 1998-06-11 WO 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 (1 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-20030073704-A1 Substituted pyridone compounds and methods of use IL6, IL1B, IL1A GRIN1 2583/4885GRIN2B 3749/4885TGFBR1 790/4885

“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.