Sugi Predict

Sugi Predict / Compounds / SCHEMBL3818285

SCHEMBL3818285

SCHEMBL3818285

Fc1ccc(-c2nc3occn3c2-c2ccnc(NC3CCNCC3)n2)c(F)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 14/20 0.77
▸ PRKD3 O94806 13/20 0.77
▸ MAPK9 P45984 12/20 0.77
▸ PRKD2 Q9BZL6 12/20 0.77
▸ MINK1 Q8N4C8 11/20 0.77
▸ GSK3B P49841 9/20 0.77
▸ MAPK8 P45983 9/20 0.77
▸ CSNK1A1 P48729 9/20 0.77
▸ CSNK1G2 P78368 7/20 0.77
▸ TAOK1 Q7L7X3 7/20 0.77
▸ CSNK1G3 Q9Y6M4 6/20 0.77
▸ CSNK1G1 Q9HCP0 4/20 0.77
▸ GSK3A P49840 4/20 0.77
▸ MAPK1 P28482 3/20 0.77
▸ AURKB Q96GD4 2/20 0.77
▸ CLK2 P49760 1/20 0.77
▸ HIPK2 Q9H2X6 1/20 0.77
▸ PIM2 Q9P1W9 1/20 0.77
▸ ALK Q9UM73 1/20 0.77
▸ CSNK1D P48730 13/20 0.57

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 SCHEMBL2745296 0.99 MAP4K4 (0.76) MAP4K4PRKD3MAPK9PRKD2MINK1
SCHEMBL3813109 0.91 MAPK8 (0.75) MAP4K4PRKD3MAPK9PRKD2MINK1
Hydrochloric Acid SCHEMBL2746187 0.91 MAPK8 (0.74) MAP4K4PRKD3MAPK9PRKD2MINK1
SCHEMBL2745596 0.87 MAPK8 (1.00) MAP4K4PRKD3MAPK9PRKD2MINK1
Hydrochloric Acid SCHEMBL3808465 0.86 MAPK8 (0.98) MAP4K4PRKD3MAPK9PRKD2MINK1
SCHEMBL12154511 0.85 MAP4K4 (0.57) MAP4K4PRKD3MAPK9PRKD2MINK1
SCHEMBL2744982 0.85 MAP4K4 (0.57) MAP4K4PRKD3MAPK9PRKD2MINK1
SCHEMBL2744980 0.85 MAP4K4 (0.57) MAP4K4PRKD3MAPK9PRKD2MINK1
SCHEMBL3816982 0.85 MAP4K4 (0.79) MAP4K4PRKD3MAPK9PRKD2MINK1
SCHEMBL3811366 0.82 MAPK8 (0.69) MAP4K4PRKD3MAPK9PRKD2MINK1

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 18 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-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
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-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-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 (5 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 MAP4K4 44/4885PRKD3 541/4885MAPK9 31/4885
US-20070281955-A1 RAF inhibitors and their uses BRAF, RAF1, ARAF MAP4K4 79/4885PRKD3 472/4885MAPK9 297/4885
US-20090111985-A1 Synthesis of imidazooxazole and imidazothiazole inhibitors of p38 map kinase MAPK1, MAPK14, MAPK15 MAP4K4 38/4885PRKD3 607/4885MAPK9 39/4885
US-20090136499-A1 RAF Inhibitors and Uses Thereof BRAF, RAF1, ARAF MAP4K4 72/4885PRKD3 469/4885MAPK9 275/4885
US-20110301160-A1 Inhibitors of P38 and Methods of Using the Same MAPK1, MAPK7, MAPK8 MAP4K4 43/4885PRKD3 507/4885MAPK9 35/4885

“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.