SCHEMBL12023711

SCHEMBL12023711

CCCCCOc1nccc(-c2c(-c3ccc(F)cc3)nc3sccn23)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 13/20 0.53
RAF1 P04049 8/20 0.53
PRKD3 O94806 1/20 0.53
MAP4K4 O95819 1/20 0.53
FGFR1 P11362 1/20 0.53
FRK P42685 1/20 0.53
MAPK8 P45983 1/20 0.53
MAPK9 P45984 1/20 0.53
CSNK1A1 P48729 1/20 0.53
CSNK1D P48730 1/20 0.53
GSK3B P49841 1/20 0.53
CSNK1G2 P78368 1/20 0.53
PRKCD Q05655 1/20 0.53
ERBB4 Q15303 1/20 0.53
MINK1 Q8N4C8 1/20 0.53
PRKD2 Q9BZL6 1/20 0.53
CSNK1G1 Q9HCP0 1/20 0.53
MAP3K20 Q9NYL2 1/20 0.53
CSNK1G3 Q9Y6M4 1/20 0.53
EGFR P00533 2/20 0.51

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
SCHEMBL12023720 0.90 FGFR1 (0.57) BRAFRAF1PRKD3MAP4K4FGFR1
SCHEMBL12023259 0.87 BRAF (0.52) BRAFRAF1PRKD3MAP4K4FGFR1
SCHEMBL12023739 0.86 PRKD3 (0.59) BRAFRAF1PRKD3MAP4K4FGFR1
SCHEMBL12023715 0.82 FGFR1 (0.53) BRAFRAF1PRKD3MAP4K4FGFR1
SCHEMBL12023713 0.82 BRAF (0.57) BRAFRAF1PRKD3MAP4K4FGFR1
SCHEMBL12024052 0.79 BRAF (0.67) BRAFRAF1FGFR1MAPK8MAP3K20
SCHEMBL13071343 0.78 PRKD3 (0.53) BRAFRAF1PRKD3MAP4K4FGFR1
SCHEMBL14392171 0.78 TEK (0.63) BRAFRAF1PRKD3MAP4K4FGFR1
SCHEMBL12154456 0.77 BRAF (0.60) BRAFRAF1PRKD3MAP4K4FGFR1
SCHEMBL1730283 0.77 CSNK1E (0.64) BRAFRAF1PRKD3MAP4K4FGFR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110301160-A1 Inhibitors of P38 and Methods of Using the Same ARQULE, INC. (US) 2011-12-08 US disclosed
US-20110301160-A1 Inhibitors of P38 and Methods of Using the Same ARQULE, INC. (US) 2011-12-08 US disclosed
US-7902192-B2 Inhibitors of P38 and methods of using the same ARQULE, INC. (US) 2011-03-08 US disclosed
US-7902192-B2 Inhibitors of P38 and methods of using the same ARQULE, INC. (US) 2011-03-08 US disclosed
US-20070270418-A1 Inhibitors of P38 and Methods of Using the Same ARQULE, INC. 2007-11-22 US disclosed
US-20070270418-A1 Inhibitors of P38 and Methods of Using the Same ARQULE, INC. 2007-11-22 US 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 (2 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-20070270418-A1 Inhibitors of P38 and Methods of Using the Same MAPK1, MAPK8, MAPK7 BRAF 179/4885RAF1 198/4885PRKD3 541/4885
US-20110301160-A1 Inhibitors of P38 and Methods of Using the Same MAPK1, MAPK7, MAPK8 BRAF 154/4885RAF1 197/4885PRKD3 507/4885

“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.