SCHEMBL12023739

SCHEMBL12023739

COc1nccc(-c2c(-c3ccc(F)cc3)nc3sccn23)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 3/20 0.59
MAP4K4 O95819 3/20 0.59
CSNK1A1 P48729 3/20 0.59
CSNK1D P48730 3/20 0.59
MINK1 Q8N4C8 3/20 0.59
FRK P42685 2/20 0.59
MAPK9 P45984 2/20 0.59
PRKD2 Q9BZL6 2/20 0.59
FGFR1 P11362 2/20 0.59
MAPK8 P45983 2/20 0.59
MAP3K20 Q9NYL2 2/20 0.59
GSK3B P49841 1/20 0.59
CSNK1G2 P78368 1/20 0.59
PRKCD Q05655 1/20 0.59
ERBB4 Q15303 1/20 0.59
CSNK1G1 Q9HCP0 1/20 0.59
CSNK1G3 Q9Y6M4 1/20 0.59
BRAF P15056 12/20 0.57
RAF1 P04049 11/20 0.57
PTGS1 P23219 1/20 0.54

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 0.89 FGFR1 (0.57) PRKD3MAP4K4CSNK1A1CSNK1DMINK1
SCHEMBL12023711 0.86 BRAF (0.53) PRKD3MAP4K4CSNK1A1CSNK1DMINK1
SCHEMBL12023259 0.85 BRAF (0.52) PRKD3MAP4K4CSNK1A1CSNK1DMINK1
SCHEMBL12023713 0.83 BRAF (0.57) PRKD3MAP4K4CSNK1A1CSNK1DMINK1
SCHEMBL12023715 0.83 FGFR1 (0.53) PRKD3MAP4K4CSNK1A1CSNK1DMINK1
SCHEMBL14392171 0.83 TEK (0.63) PRKD3MAP4K4CSNK1A1CSNK1DMINK1
SCHEMBL1730283 0.82 CSNK1E (0.64) PRKD3MAP4K4CSNK1A1CSNK1DMINK1
SCHEMBL12154456 0.82 BRAF (0.60) PRKD3MAP4K4CSNK1A1CSNK1DMINK1
SCHEMBL1730222 0.81 PTGS2 (0.66) PRKD3MAP4K4CSNK1A1CSNK1DMINK1
SCHEMBL12023701 0.80 BRAF (0.73) FGFR1MAPK8MAP3K20BRAFRAF1

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 8 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
EP-1633758-B1 IMIDAZOTHIAZOLES AND IMIDAZOXAZOLE DERIVATIVES AS INHIBITORS OF P38 ARQULE INC (US) 2011-11-23 EP 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
EP-2251343-A1 IMIDAZOTHIAZOLES AS P38-KINASE-INHIBITORS ARQULE, INC. (US) 2010-11-17 EP 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 PRKD3 541/4885MAP4K4 44/4885CSNK1A1 312/4885
US-20110301160-A1 Inhibitors of P38 and Methods of Using the Same MAPK1, MAPK7, MAPK8 PRKD3 507/4885MAP4K4 43/4885CSNK1A1 301/4885

“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.