SCHEMBL1730295

SCHEMBL1730295

CC(C)(C)OC(=O)N1CCC(Nc2nccc(-c3c(-c4ccc(F)cc4)nc4sccn34)n2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 9/20 0.60
PRKD3 O94806 2/20 0.59
MAP4K4 O95819 2/20 0.59
MAPK1 P28482 2/20 0.59
MAPK8 P45983 2/20 0.59
MAPK9 P45984 2/20 0.59
CSNK1A1 P48729 2/20 0.59
GSK3A P49840 2/20 0.59
GSK3B P49841 2/20 0.59
CSNK1G2 P78368 2/20 0.59
TAOK1 Q7L7X3 2/20 0.59
MINK1 Q8N4C8 2/20 0.59
PRKD2 Q9BZL6 2/20 0.59
CSNK1G1 Q9HCP0 2/20 0.59
CSNK1G3 Q9Y6M4 2/20 0.59
CDK2 P24941 1/20 0.59
CSNK1D P48730 1/20 0.59
CLK4 Q9HAZ1 1/20 0.59
RAF1 P04049 6/20 0.49
CLK2 P49760 1/20 0.47

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
SCHEMBL12024241 0.91 BRAF (0.68) BRAFPRKD3MAP4K4MAPK1MAPK8
SCHEMBL12024058 0.90 BRAF (0.61) BRAFPRKD3MAP4K4MAPK1MAPK8
SCHEMBL3816824 0.89 BRAF (0.54) BRAFPRKD3MAP4K4MAPK1MAPK8
SCHEMBL3808892 0.89 MAPK8 (0.73) BRAFPRKD3MAP4K4MAPK1MAPK8
SCHEMBL12024140 0.89 BRAF (0.53) BRAFPRKD3MAP4K4MAPK1MAPK8
SCHEMBL3813139 0.86 BRAF (0.65) BRAFPRKD3MAP4K4MAPK1MAPK8
SCHEMBL3808577 0.86 PRKD3 (0.80) BRAFPRKD3MAP4K4MAPK1MAPK8
SCHEMBL3526576 0.85 PRKD3 (0.58) BRAFPRKD3MAP4K4MAPK1MAPK8
SCHEMBL3477886 0.85 BRAF (0.61) BRAFPRKD3MAP4K4MAPK1MAPK8
SCHEMBL3810706 0.85 BRAF (0.63) BRAFPRKD3MAP4K4MAPK1MAPK8

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 15 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-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
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
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
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
US-20070270418-A1 Inhibitors of P38 and Methods of Using the Same ARQULE, INC. 2007-11-22 US disclosed
EP-1633758-A2 IMIDAZOTHIAZOLES AND IMIDAZOXAZOLE DERIVATIVES AS INHIBITORS OF P38 ARQULE, INC. (US) 2006-03-15 EP disclosed
WO-2004110990-A2 IMIDAZOTHIAZOLES AND IMIDAZOXAZOLE DERIVATIVES AS INHIBITORS OF P38 ARQULE, INC. (US) 2004-12-23 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 (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 179/4885PRKD3 541/4885MAP4K4 44/4885
US-20110301160-A1 Inhibitors of P38 and Methods of Using the Same MAPK1, MAPK7, MAPK8 BRAF 154/4885PRKD3 507/4885MAP4K4 43/4885

“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.