SCHEMBL12461175

SCHEMBL12461175

O=C(O)c1ccc(F)c(-c2nc(-c3ccccc3)[nH]c2-c2ccnc(O)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.49
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 3/20 0.48
GLA P06280 3/20 0.48
GAA P10253 3/20 0.48
HPGD P15428 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPK14 Q16539 8/20 0.47
MAPK13 O15264 6/20 0.47
MAPK12 P53778 6/20 0.47
MAPK11 Q15759 6/20 0.47
ALOX5 P09917 2/20 0.47
MEN1 O00255 2/20 0.47
CSNK1D P48730 1/20 0.46
CSNK1E P49674 1/20 0.46
MAPT P10636 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
GFER P55789 1/20 0.44
GSK3B P49841 1/20 0.43

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
SCHEMBL12461176 0.88 BRAF (0.51) TGFBR1KDM4EALDH1A1GLAGAA
SCHEMBL12461201 0.88 KDM4E (0.52) TGFBR1KDM4EALDH1A1GLAGAA
SCHEMBL12461224 0.84 MAPK14 (0.55) TGFBR1KDM4EALDH1A1GLAGAA
SCHEMBL12461227 0.83 BRAF (0.55) ALOX5RAF1BRAF
SCHEMBL12461181 0.82 TGFBR1 (0.53) TGFBR1KDM4EALDH1A1GLAGAA
SCHEMBL12461180 0.82 MAPK14 (0.51) TGFBR1KDM4EALDH1A1GLAGAA
SCHEMBL12461228 0.81 KDM4E (0.50) TGFBR1KDM4EMAPK14MAPK13MAPK12
SCHEMBL12461955 0.81 MAPK14 (0.63) TGFBR1KDM4EALDH1A1GLAGAA
SCHEMBL12461174 0.80 MAPK14 (0.58) TGFBR1KDM4EALDH1A1GLAGAA
SCHEMBL12461976 0.79 MAPK14 (0.64) TGFBR1MAPK14

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 TGFBR1 4280/4885KDM4E 2358/4885ALDH1A1 2793/4885

“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.