SCHEMBL3458736

SCHEMBL3458736

O=C(O)c1ccn2cncc2c1Nc1ccc(Br)cc1F

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
KCNH2 Q12809 1/20 0.54
MAP2K1 Q02750 16/20 0.50
MAP2K2 P36507 3/20 0.40
ABCB11 O95342 1/20 0.40
NQO2 P16083 1/20 0.40
GAA P10253 1/20 0.39
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL1970513 0.88 CYP2C9 (0.54) CYP2C9CYP2C19KCNH2MAP2K1MAP2K2
SCHEMBL3465702 0.87 KCNH2 (0.69) CYP2C9CYP2C19KCNH2MAP2K1MAP2K2
SCHEMBL1969541 0.87 CYP2C9 (0.43) CYP2C9CYP2C19KCNH2MAP2K1MAP2K2
SCHEMBL1974801 0.84 CYP2C9 (0.52) CYP2C9CYP2C19KCNH2MAP2K1MAP2K2
SCHEMBL1969916 0.83 CYP2C9 (0.51) CYP2C9CYP2C19KCNH2MAP2K1MAP2K2
SCHEMBL1975349 0.82 CYP2C9 (0.80) CYP2C9CYP2C19KCNH2MAP2K1MAP2K2
SCHEMBL1969220 0.81 CYP2C9 (0.49) CYP2C9CYP2C19KCNH2MAP2K1MAP2K2
SCHEMBL12583187 0.80 KCNH2 (0.61) CYP2C9CYP2C19KCNH2MAP2K1MAP2K2
SCHEMBL1970716 0.79 CYP2C9 (0.64) CYP2C9CYP2C19KCNH2MAP2K1MAP2K2
SCHEMBL2634095 0.76 CYP2C9 (0.53) CYP2C9KCNH2MAP2K1MAP2K2ABCB11

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-8293763-B2 8-anilinoimidazopyridines and their use as anti-cancer and/or anti-inflammatory agents GENENTECH, INC. (US) 2012-10-23 US claimed
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-20100280063-A1 8-ANILINOIMIDAZOPYRIDINES AND THEIR USE AS ANTI-CANCER AND/OR ANTI-INFLAMMATORY AGENTS GENENTECH, INC. 2010-11-04 US disclosed
EP-2231662-A1 8-ANILIN0IMIDAZ0PYRIDINES AND THEIR USE AS ANTI-CANCER AND/OR ANTI-INFLAMMATORY AGENTS Genentech, Inc. (US) 2010-09-29 EP 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.