SCHEMBL2745596

SCHEMBL2745596

Fc1ccc(-c2nc3occn3c2-c2ccnc(NC3CCNCC3)n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 7/20 1.00
PRKD3 O94806 5/20 1.00
MAP4K4 O95819 5/20 1.00
MAPK9 P45984 5/20 1.00
CSNK1A1 P48729 5/20 1.00
GSK3B P49841 5/20 1.00
CSNK1G2 P78368 5/20 1.00
PRKD2 Q9BZL6 5/20 1.00
CSNK1G3 Q9Y6M4 5/20 1.00
CSNK1G1 Q9HCP0 4/20 1.00
MAPK1 P28482 4/20 1.00
GSK3A P49840 4/20 1.00
TAOK1 Q7L7X3 4/20 1.00
MINK1 Q8N4C8 4/20 1.00
CLK2 P49760 1/20 1.00
AURKB Q96GD4 1/20 1.00
HIPK2 Q9H2X6 1/20 1.00
PIM2 Q9P1W9 1/20 1.00
ALK Q9UM73 1/20 1.00
CSNK1D P48730 4/20 0.72

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
Hydrochloric Acid SCHEMBL3808465 0.99 MAPK8 (0.98) MAPK8PRKD3MAP4K4MAPK9CSNK1A1
SCHEMBL12023276 0.93 PRKD3 (0.87) MAPK8PRKD3MAP4K4MAPK9CSNK1A1
SCHEMBL12023286 0.91 PRKD3 (0.84) MAPK8PRKD3MAP4K4MAPK9CSNK1A1
SCHEMBL2746064 0.89 PRKD3 (0.80) MAPK8PRKD3MAP4K4MAPK9CSNK1A1
SCHEMBL2745737 0.89 PRKD3 (0.80) MAPK8PRKD3MAP4K4MAPK9CSNK1A1
SCHEMBL12023345 0.89 MAPK8 (0.80) MAPK8PRKD3MAP4K4MAPK9CSNK1A1
SCHEMBL2746017 0.89 PRKD3 (0.79) MAPK8PRKD3MAP4K4MAPK9CSNK1A1
SCHEMBL3818285 0.87 MAP4K4 (0.77) MAPK8PRKD3MAP4K4MAPK9CSNK1A1
Hydrochloric Acid SCHEMBL2745296 0.87 MAP4K4 (0.76) MAPK8PRKD3MAP4K4MAPK9CSNK1A1
SCHEMBL3813109 0.86 MAPK8 (0.75) MAPK8PRKD3MAP4K4MAPK9CSNK1A1

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 28 patents — showing the first 20. 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
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
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
EP-2013218-A2 RAF INHIBITORS AND THEIR USES ARQULE, INC. (US) 2009-01-14 EP 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
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
WO-2007123892-A2 RAF INHIBITORS AND THEIR USES ARQULE INC. (US) 2007-11-01 WO disclosed
WO-2007123892-A2 RAF INHIBITORS AND THEIR USES ARQULE INC. (US) 2007-11-01 WO disclosed
EP-1809636-A1 SYNTHESIS OF IMIDAZOOXAZOLE AND IMIDAZOTHIAZOLE INHIBITORS OF P38 MAP KINASE ARQULE, INC. (US) 2007-07-25 EP disclosed
WO-2006044869-A1 SYNTHESIS OF IMIDAZOOXAZOLE AND IMIDAZOTHIAZOLE INHIBITORS OF P38 MAP KINASE ARQULE, INC. (US) 2006-04-27 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 (4 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 MAPK8 2/4885PRKD3 541/4885MAP4K4 44/4885
US-20070281955-A1 RAF inhibitors and their uses BRAF, RAF1, ARAF MAPK8 301/4885PRKD3 472/4885MAP4K4 79/4885
US-20090136499-A1 RAF Inhibitors and Uses Thereof BRAF, RAF1, ARAF MAPK8 298/4885PRKD3 469/4885MAP4K4 72/4885
US-20110301160-A1 Inhibitors of P38 and Methods of Using the Same MAPK1, MAPK7, MAPK8 MAPK8 3/4885PRKD3 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.