SCHEMBL12461972

SCHEMBL12461972

O=C(O)c1cc(-c2nc(-c3ccccc3)[nH]c2-c2ccnc3[nH]ccc23)ccc1F

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.70
EGFR P00533 11/20 0.70
IKBKB O14920 1/20 0.46
CHUK O15111 1/20 0.46
DAPK3 O43293 1/20 0.46
JAK2 O60674 1/20 0.46
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
PAK4 O96013 1/20 0.46
CSF1R P07333 1/20 0.46
RET P07949 1/20 0.46
IGF1R P08069 1/20 0.46
FGFR1 P11362 1/20 0.46
PRKACA P17612 1/20 0.46
FLT1 P17948 1/20 0.46
LTK P29376 1/20 0.46
GRK5 P34947 1/20 0.46
KDR P35968 1/20 0.46
MAP2K2 P36507 1/20 0.46
MAPK8 P45983 1/20 0.46

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
SCHEMBL12461987 0.90 MAPK14 (0.66) MAPK14EGFRIKBKBCHUKDAPK3
SCHEMBL12461966 0.89 MAPK14 (0.64) MAPK14EGFRIKBKBCHUKDAPK3
SCHEMBL12461986 0.88 MAPK14 (0.64) MAPK14EGFRIKBKBCHUKDAPK3
SCHEMBL12461965 0.86 MAPK14 (0.61) MAPK14EGFRIKBKBCHUKDAPK3
SCHEMBL12461971 0.85 MAPK14 (0.67) MAPK14EGFRIKBKBCHUKDAPK3
SCHEMBL12461926 0.85 BRAF (0.53) MAPK14EGFR
SCHEMBL12461976 0.85 MAPK14 (0.64) MAPK14EGFRIKBKBCHUKDAPK3
SCHEMBL12461961 0.84 MAPK14 (0.66) MAPK14EGFRIKBKBCHUKDAPK3
SCHEMBL12461973 0.84 MAPK14 (0.71) MAPK14EGFRIKBKBCHUKDAPK3
SCHEMBL12461997 0.82 MAPK14 (0.63) MAPK14EGFRIKBKBCHUKDAPK3

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-20130040983-A1 RAF KINASE INHIBITORS RUGA CORPORATION 2013-02-14 US disclosed
US-20130040983-A1 RAF KINASE INHIBITORS RUGA CORPORATION 2013-02-14 US disclosed
WO-2011085269-A1 RAF KINASE INHIBITORS SELEXAGEN THERAPEUTICS, INC. (US) 2011-07-14 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-20130040983-A1 RAF KINASE INHIBITORS BRAF, RAF1, ARAF MAPK14 193/4885EGFR 232/4885IKBKB 402/4885

“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.