SCHEMBL6798381

SCHEMBL6798381

COc1ccc(C#Cc2cccc(C)n2)cc1F

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.63
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
TP53 P04637 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
PKM P14618 1/20 0.54
HPGD P15428 1/20 0.54
ALOX15 P16050 1/20 0.54
CYP2C19 P33261 1/20 0.54
THPO P40225 1/20 0.54
KMT2A Q03164 1/20 0.54
GRIN2B Q13224 1/20 0.54
GRM1 Q13255 1/20 0.54

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
SCHEMBL4712504 0.85 GRM5 (0.65) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL6787407 0.83 GRM5 (0.63) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4713886 0.82 GRM5 (0.59) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4713791 0.79 GRM5 (0.53) GRM5NPC1RAB9ASMN1; SMN2KDM4E
M-Mpep SCHEMBL29393403 0.78 GRM5 (1.00) GRM5NPC1RAB9ASMN1; SMN2KDM4E
M-Mpep SCHEMBL1020513 0.78 GRM5 (1.00) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL6800311 0.77 GRM5 (0.72) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4710830 0.77 GRM5 (0.67) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4711639 0.77 GRM5 (0.71) GRM5NPC1RAB9ASMN1; SMN2KDM4E
M-Mpep SCHEMBL31258178 0.77 GRM5 (0.97) GRM5NPC1RAB9ASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040152738-A1 Pyridyl-substituted triazoles as tgf inhibitors SMITHKLINE BEECHAM CORPORATION 2004-08-05 US disclosed
EP-1335916-A1 PYRIDYL-SUBSTITUTED TRIAZOLES AS TGF INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-08-20 EP disclosed
WO-2002040476-A1 PYRIDYL-SUBSTITUTED TRIAZOLES AS TGF INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-05-23 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-20040152738-A1 Pyridyl-substituted triazoles as tgf inhibitors TGFBR1, TGFBR2, SMAD3 GRM5 2984/4885NPC1 251/4885RAB9A 3867/4885

“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.