SCHEMBL6933561

SCHEMBL6933561

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAPK14 Q16539 4/20 0.41
MAPK11 Q15759 3/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2B Q13224 2/20 0.41
MAPK9 P45984 2/20 0.41
MAPK13 O15264 2/20 0.41
MAPK12 P53778 2/20 0.41
RAF1 P04049 1/20 0.41
PTPN11 Q06124 1/20 0.40
SLC11A2 P49281 1/20 0.40
MAP4K4 O95819 1/20 0.39
FRK P42685 1/20 0.39
CSNK1A1 P48729 1/20 0.39
CSNK1D P48730 1/20 0.39
CDC42BPA Q5VT25 1/20 0.39
MINK1 Q8N4C8 1/20 0.39
MAP4K5 Q9Y4K4 1/20 0.39

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
SCHEMBL5788934 0.84 GRIN1 (0.45) TGFBR1NPC1RAB9AMAPK14MAPK11
Hydrochloric Acid SCHEMBL6935269 0.83 GRIN1 (0.45) TGFBR1NPC1RAB9AMAPK14MAPK11
SCHEMBL5790262 0.82 MAPK14 (0.45) TGFBR1NPC1RAB9AMAPK14MAPK11
SCHEMBL6933563 0.81 GRIN1 (0.43) TGFBR1NPC1RAB9AMAPK14MAPK11
SCHEMBL5788057 0.81 TGFBR1 (0.43) TGFBR1NPC1RAB9AMAPK14MAPK11
SCHEMBL6935696 0.78 MAPK14 (0.51) MAPK14MAPK11MAPK9MAPK13MAPK12
SCHEMBL5791511 0.78 MAPK9 (0.47) TGFBR1NPC1RAB9AMAPK14MAPK11
SCHEMBL8170389 0.73 MAPK9 (0.53) TGFBR1NPC1RAB9AMAPK14MAPK11
SCHEMBL6936810 0.73 MAPK9 (0.55) MAPK14MAPK11GRIN1GRIN2BMAPK9
SCHEMBL6932997 0.73 KDM1A (0.38) MAPK14MAPK9MAPK13MAPK12MAP4K4

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 TGFBR1 790/4885NPC1 4142/4885RAB9A 3357/4885

“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.