SCHEMBL1970730

SCHEMBL1970730

C=COCCONC(=O)c1ccn2cncc2c1Nc1ccc(Br)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.53
KCNH2 Q12809 2/20 0.53
CYP2C19 P33261 1/20 0.53
MAP2K1 Q02750 14/20 0.47
MAP2K2 P36507 2/20 0.47
EGFR P00533 2/20 0.47
SMC2 O95347 1/20 0.47
CSNK2A2 P19784 1/20 0.47
SMC1A Q14683 1/20 0.47
AAK1 Q2M2I8 1/20 0.47
Q6ZSR9 Q6ZSR9 1/20 0.47
BMP2K Q9NSY1 1/20 0.47
ABCB11 O95342 1/20 0.38
NQO2 P16083 1/20 0.38
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
KDR P35968 1/20 0.33

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
SCHEMBL1970716 0.90 CYP2C9 (0.64) CYP2C9KCNH2CYP2C19MAP2K1MAP2K2
SCHEMBL1971814 0.89 CYP2C9 (0.67) CYP2C9KCNH2CYP2C19MAP2K1MAP2K2
SCHEMBL1969081 0.82 CYP2C9 (0.80) CYP2C9KCNH2CYP2C19MAP2K1MAP2K2
SCHEMBL1971020 0.80 CYP2C9 (0.62) CYP2C9KCNH2CYP2C19MAP2K1MAP2K2
SCHEMBL1971572 0.79 CYP2C9 (0.61) CYP2C9KCNH2CYP2C19MAP2K1MAP2K2
SCHEMBL1969541 0.79 CYP2C9 (0.43) CYP2C9KCNH2CYP2C19MAP2K1MAP2K2
SCHEMBL1975349 0.78 CYP2C9 (0.80) CYP2C9KCNH2CYP2C19MAP2K1MAP2K2
SCHEMBL1971011 0.78 CYP2C9 (0.43) CYP2C9KCNH2CYP2C19MAP2K1MAP2K2
SCHEMBL1970770 0.78 CYP2C9 (0.59) CYP2C9KCNH2CYP2C19MAP2K1MAP2K2
SCHEMBL13841979 0.78 MAP2K1 (0.46) MAP2K1MAP2K2EGFRSMC2CSNK2A2

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 7 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
EP-2231662-B1 8-ANILINOIMIDAZOPYRIDINES AND THEIR USE AS ANTI-CANCER AND/OR ANTI-INFLAMMATORY AGENTS GENENTECH INC (US) 2011-06-22 EP 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
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 1838/4885KCNH2 1456/4885CYP2C19 2035/4885

“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.