SCHEMBL3729451

SCHEMBL3729451

COC(=O)c1ccn2cncc2c1Nc1ccc(SC)cc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.52
CYP2C19 P33261 2/20 0.52
KCNH2 Q12809 1/20 0.52
MAP2K1 Q02750 3/20 0.41
MAP2K2 P36507 1/20 0.41
LCK P06239 1/20 0.35
GFER P55789 1/20 0.34
CSF1R P07333 3/20 0.33
NUDT1 P36639 3/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
MAPK1 P28482 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SRC P12931 1/20 0.31
IDO1 P14902 1/20 0.31

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
SCHEMBL1974801 0.90 CYP2C9 (0.52) CYP2C9CYP2C19KCNH2MAP2K1MAP2K2
SCHEMBL1971399 0.86 KCNH2 (0.69) CYP2C9CYP2C19KCNH2MAP2K1MAP2K2
SCHEMBL1970513 0.86 CYP2C9 (0.54) CYP2C9CYP2C19KCNH2MAP2K1MAP2K2
SCHEMBL1973687 0.84 CYP2C9 (0.77) CYP2C9CYP2C19KCNH2MAP2K1MAP2K2
SCHEMBL1971873 0.82 CYP2C9 (0.51) CYP2C9CYP2C19KCNH2MAP2K1LCK
SCHEMBL1972540 0.81 CYP2C9 (0.49) CYP2C9CYP2C19KCNH2MAP2K1LCK
SCHEMBL1971020 0.80 CYP2C9 (0.62) CYP2C9CYP2C19KCNH2MAP2K1MAP2K2
SCHEMBL1971011 0.76 CYP2C9 (0.43) CYP2C9CYP2C19KCNH2MAP2K1MAP2K2
SCHEMBL1615188 0.75 KCNH2 (0.52) CYP2C9CYP2C19KCNH2MAP2K1MAP2K2
SCHEMBL3465702 0.74 KCNH2 (0.69) CYP2C9CYP2C19KCNH2MAP2K1MAP2K2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293763-B2 8-anilinoimidazopyridines and their use as anti-cancer and/or anti-inflammatory agents GENENTECH, INC. (US) 2012-10-23 US disclosed
US-8293763-B2 8-anilinoimidazopyridines and their use as anti-cancer and/or anti-inflammatory agents GENENTECH, INC. (US) 2012-10-23 US disclosed
US-8293763-B2 8-anilinoimidazopyridines and their use as anti-cancer and/or anti-inflammatory agents GENENTECH, INC. (US) 2012-10-23 US disclosed
EP-2231662-B1 8-ANILINOIMIDAZOPYRIDINES AND THEIR USE AS ANTI-CANCER AND/OR ANTI-INFLAMMATORY AGENTS GENENTECH INC (US) 2011-06-22 EP disclosed
US-20100280063-A1 8-ANILINOIMIDAZOPYRIDINES AND THEIR USE AS ANTI-CANCER AND/OR ANTI-INFLAMMATORY AGENTS GENENTECH, INC. 2010-11-04 US disclosed
US-20100280063-A1 8-ANILINOIMIDAZOPYRIDINES AND THEIR USE AS ANTI-CANCER AND/OR ANTI-INFLAMMATORY AGENTS GENENTECH, INC. 2010-11-04 US disclosed
US-20100280063-A1 8-ANILINOIMIDAZOPYRIDINES AND THEIR USE AS ANTI-CANCER AND/OR ANTI-INFLAMMATORY AGENTS GENENTECH, INC. 2010-11-04 US disclosed
WO-2009085980-A1 8-ANILIN0IMIDAZ0PYRIDINES AND THEIR USE AS ANTI-CANCER AND/OR ANTI-INFLAMMATORY AGENTS GENENTECH, INC. (US) 2009-07-09 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-20100280063-A1 8-ANILINOIMIDAZOPYRIDINES AND THEIR USE AS ANTI-CANCER AND/OR ANTI-INFLAMMATORY AGENTS MAP3K8, MAPK8, MAP3K1 CYP2C9 1838/4885CYP2C19 2035/4885KCNH2 1456/4885

“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.