SCHEMBL4114563

SCHEMBL4114563

CC(C)(C)c1nc(-c2ccncc2)c(-c2ccc(F)cc2)[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 1.00
MAPK14 Q16539 14/20 0.66
MAPK13 O15264 13/20 0.66
MAPK12 P53778 13/20 0.66
MAPK11 Q15759 13/20 0.66
GCGR P47871 12/20 0.64
CSNK1D P48730 4/20 0.64
PRKD3 O94806 3/20 0.64
MAP4K4 O95819 3/20 0.64
FRK P42685 3/20 0.64
MAPK9 P45984 3/20 0.64
CSNK1A1 P48729 3/20 0.64
GSK3B P49841 3/20 0.64
CLK4 Q9HAZ1 3/20 0.64
PTK6 Q13882 2/20 0.64
PRKD2 Q9BZL6 2/20 0.64
ALOX5 P09917 6/20 0.58
PRKACA P17612 2/20 0.57
SLK Q9H2G2 2/20 0.57
CSNK1E P49674 2/20 0.57

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
SCHEMBL4585275 1.00 BRAF (1.00) BRAFMAPK14MAPK13MAPK12MAPK11
SCHEMBL7163768 0.82 BRAF (0.69) BRAFMAPK14MAPK13MAPK12MAPK11
SCHEMBL4108151 0.82 BRAF (0.69) BRAFMAPK14MAPK13MAPK12MAPK11
SCHEMBL14529599 0.82 BRAF (0.69) BRAFMAPK14MAPK13MAPK12MAPK11
SCHEMBL19857269 0.81 GCGR (0.79) BRAFMAPK14MAPK13MAPK12MAPK11
SCHEMBL27335373 0.80 MAPK14 (0.69) BRAFMAPK14MAPK13MAPK12MAPK11
SCHEMBL1692321 0.80 BRAF (0.66) BRAFMAPK14MAPK13MAPK12MAPK11
SCHEMBL1692122 0.80 BRAF (0.66) BRAFMAPK14MAPK13MAPK12MAPK11
SCHEMBL4460547 0.79 MAPK14 (1.00) BRAFMAPK14MAPK13MAPK12MAPK11
SCHEMBL13712659 0.79 MAPK14 (1.00) BRAFMAPK14MAPK13MAPK12MAPK11

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-20090227602-A1 COMPOSITIONS AND TREATMENTS FOR INHIBITING KINASE AND/OR HMG-COA REDUCTASE NUMERATE, INC. 2009-09-10 US disclosed
US-20090227602-A1 COMPOSITIONS AND TREATMENTS FOR INHIBITING KINASE AND/OR HMG-COA REDUCTASE NUMERATE, INC. 2009-09-10 US disclosed
US-20090227602-A1 COMPOSITIONS AND TREATMENTS FOR INHIBITING KINASE AND/OR HMG-COA REDUCTASE NUMERATE, INC. 2009-09-10 US disclosed
EP-1948168-A2 COMPOSITIONS AND TREATMENTS FOR INHIBITING KINASE AND/OR HMG-COA REDUCTASE Numerate, Inc (US) 2008-07-30 EP disclosed
WO-2007051065-A2 COMPOSITIONS AND TREATMENTS FOR INHIBITING KINASE AND/OR HMG-COA REDUCTASE NUMERATE, INC. (US) 2007-05-03 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-20090227602-A1 COMPOSITIONS AND TREATMENTS FOR INHIBITING KINASE AND/OR HMG-COA REDUCTASE HMGCR, HMGB3, HMGB2 BRAF 1347/4885MAPK14 203/4885MAPK13 194/4885

“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.