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Sugi Predict / Compounds / SCHEMBL2745907

SCHEMBL2745907

SCHEMBL2745907

O=S(=O)(c1c(F)cccc1F)N1CCC[C@@H](Nc2nccc(-c3c(-c4ccc(F)cc4)nc4occn34)n2)C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 9/20 0.62
▸ PRKD3 O94806 4/20 0.61
▸ MAP4K4 O95819 4/20 0.61
▸ MAPK8 P45983 4/20 0.61
▸ MAPK9 P45984 4/20 0.61
▸ CSNK1A1 P48729 4/20 0.61
▸ GSK3B P49841 4/20 0.61
▸ CSNK1G2 P78368 4/20 0.61
▸ PRKD2 Q9BZL6 4/20 0.61
▸ CSNK1G1 Q9HCP0 4/20 0.61
▸ CSNK1G3 Q9Y6M4 4/20 0.61
▸ MAPK1 P28482 3/20 0.61
▸ GSK3A P49840 3/20 0.61
▸ TAOK1 Q7L7X3 3/20 0.61
▸ MINK1 Q8N4C8 3/20 0.61
▸ CLK2 P49760 1/20 0.61
▸ AURKB Q96GD4 1/20 0.61
▸ HIPK2 Q9H2X6 1/20 0.61
▸ PIM2 Q9P1W9 1/20 0.61
▸ ALK Q9UM73 1/20 0.61

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
SCHEMBL2745827 0.91 MAPK8 (0.69) BRAFPRKD3MAP4K4MAPK8MAPK9
SCHEMBL2745216 0.91 BRAF (0.74) BRAFPRKD3MAP4K4MAPK8MAPK9
SCHEMBL2746280 0.91 BRAF (0.74) BRAFPRKD3MAP4K4MAPK8MAPK9
SCHEMBL2745810 0.90 BRAF (0.69) BRAFPRKD3MAP4K4MAPK8MAPK9
SCHEMBL2746413 0.90 BRAF (0.65) BRAFPRKD3MAP4K4MAPK8MAPK9
SCHEMBL2745804 0.88 BRAF (0.62) BRAFPRKD3MAP4K4MAPK8MAPK9
SCHEMBL2745342 0.88 MAPK9 (0.60) BRAFPRKD3MAP4K4MAPK8MAPK9
SCHEMBL2745867 0.88 BRAF (0.70) BRAFPRKD3MAP4K4MAPK8MAPK9
SCHEMBL2745281 0.88 BRAF (0.70) BRAFPRKD3MAP4K4MAPK8MAPK9
SCHEMBL2745729 0.87 BRAF (0.65) BRAFPRKD3MAP4K4MAPK8MAPK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178672-B2 Synthesis of imidazooxazole and imidazothiazole inhibitors of p38 MAP kinase ARQULE, INC. (US) 2012-05-15 — — US disclosed
US-8178672-B2 Synthesis of imidazooxazole and imidazothiazole inhibitors of p38 MAP kinase ARQULE, INC. (US) 2012-05-15 — — US disclosed
US-8178672-B2 Synthesis of imidazooxazole and imidazothiazole inhibitors of p38 MAP kinase ARQULE, INC. (US) 2012-05-15 — — US disclosed
EP-2258704-A1 Synthesis of imidazooxazole and imidazothiazole inhibitors of p38 map kinase ArQule, Inc. (US) 2010-12-08 — — EP disclosed
EP-2258704-A1 Synthesis of imidazooxazole and imidazothiazole inhibitors of p38 map kinase ArQule, Inc. (US) 2010-12-08 — — EP disclosed
US-20090136499-A1 RAF Inhibitors and Uses Thereof ARQULE, INC. (US) 2009-05-28 — — US disclosed
US-20090136499-A1 RAF Inhibitors and Uses Thereof ARQULE, INC. (US) 2009-05-28 — — US disclosed
US-20090136499-A1 RAF Inhibitors and Uses Thereof ARQULE, INC. (US) 2009-05-28 — — US disclosed
US-20090111985-A1 Synthesis of imidazooxazole and imidazothiazole inhibitors of p38 map kinase ARQULE, INC. 2009-04-30 — — US disclosed
US-20090111985-A1 Synthesis of imidazooxazole and imidazothiazole inhibitors of p38 map kinase ARQULE, INC. 2009-04-30 — — US disclosed
US-20090111985-A1 Synthesis of imidazooxazole and imidazothiazole inhibitors of p38 map kinase ARQULE, INC. 2009-04-30 — — US disclosed
US-7501430-B2 e.g. 3-{5-[2-({(3R)-1-[(4-chlorophenyl)sulfonyl]piperidin-3-yl}amino)pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl}phenyl carbamate; antiproliferative, anticarcinogenic agent; cell proliferative disorders ARQULE, INC. (US) 2009-03-10 — — US disclosed
US-7501430-B2 e.g. 3-{5-[2-({(3R)-1-[(4-chlorophenyl)sulfonyl]piperidin-3-yl}amino)pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl}phenyl carbamate; antiproliferative, anticarcinogenic agent; cell proliferative disorders ARQULE, INC. (US) 2009-03-10 — — US disclosed
US-7501430-B2 e.g. 3-{5-[2-({(3R)-1-[(4-chlorophenyl)sulfonyl]piperidin-3-yl}amino)pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl}phenyl carbamate; antiproliferative, anticarcinogenic agent; cell proliferative disorders ARQULE, INC. (US) 2009-03-10 — — US disclosed
US-20070281955-A1 RAF inhibitors and their uses ARQULE, INC. 2007-12-06 — — US disclosed
US-20070281955-A1 RAF inhibitors and their uses ARQULE, INC. 2007-12-06 — — US disclosed
US-20070281955-A1 RAF inhibitors and their uses ARQULE, INC. 2007-12-06 — — 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 (3 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-20070281955-A1 RAF inhibitors and their uses BRAF, RAF1, ARAF BRAF 1/4885PRKD3 472/4885MAP4K4 79/4885
US-20090111985-A1 Synthesis of imidazooxazole and imidazothiazole inhibitors of p38 map kinase MAPK1, MAPK14, MAPK15 BRAF 181/4885PRKD3 607/4885MAP4K4 38/4885
US-20090136499-A1 RAF Inhibitors and Uses Thereof BRAF, RAF1, ARAF BRAF 1/4885PRKD3 469/4885MAP4K4 72/4885

“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.