Sugi Predict

Sugi Predict / Compounds / SCHEMBL3812911

SCHEMBL3812911

SCHEMBL3812911

Cc1ccccc1-c1nc2occn2c1-c1ccnc(NC2CCNCC2)n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 7/20 0.69
▸ MAPK9 P45984 5/20 0.69
▸ GSK3B P49841 5/20 0.69
▸ PRKD3 O94806 4/20 0.69
▸ MAP4K4 O95819 4/20 0.69
▸ CSNK1A1 P48729 4/20 0.69
▸ CSNK1G2 P78368 4/20 0.69
▸ PRKD2 Q9BZL6 4/20 0.69
▸ CSNK1G1 Q9HCP0 4/20 0.69
▸ CSNK1G3 Q9Y6M4 4/20 0.69
▸ MAPK1 P28482 3/20 0.69
▸ GSK3A P49840 3/20 0.69
▸ TAOK1 Q7L7X3 3/20 0.69
▸ MINK1 Q8N4C8 3/20 0.69
▸ CLK2 P49760 1/20 0.69
▸ AURKB Q96GD4 1/20 0.69
▸ HIPK2 Q9H2X6 1/20 0.69
▸ PIM2 Q9P1W9 1/20 0.69
▸ ALK Q9UM73 1/20 0.69
▸ CDK2 P24941 4/20 0.52

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 SCHEMBL2745924 0.99 MAPK8 (0.68) MAPK8MAPK9GSK3BPRKD3MAP4K4
SCHEMBL3811366 0.89 MAPK8 (0.69) MAPK8MAPK9GSK3BPRKD3MAP4K4
Hydrochloric Acid SCHEMBL2746007 0.88 MAPK8 (0.68) MAPK8MAPK9GSK3BPRKD3MAP4K4
SCHEMBL2745547 0.86 MAPK8 (0.51) MAPK8MAPK9GSK3BPRKD3MAP4K4
SCHEMBL12023650 0.86 MAPK8 (0.51) MAPK8MAPK9GSK3BPRKD3MAP4K4
SCHEMBL2745543 0.86 MAPK8 (0.51) MAPK8MAPK9GSK3BPRKD3MAP4K4
SCHEMBL3477641 0.85 MAPK8 (0.63) MAPK8MAPK9GSK3BPRKD3MAP4K4
SCHEMBL3818595 0.85 MAPK8 (0.72) MAPK8MAPK9GSK3BPRKD3MAP4K4
SCHEMBL3818827 0.85 CDK2 (0.55) MAPK8MAPK9GSK3BPRKD3MAP4K4
SCHEMBL3818285 0.82 MAP4K4 (0.77) MAPK8MAPK9GSK3BPRKD3MAP4K4

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 21 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-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-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
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

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 MAPK8 2/4885MAPK9 31/4885GSK3B 486/4885
US-20070281955-A1 RAF inhibitors and their uses BRAF, RAF1, ARAF MAPK8 301/4885MAPK9 297/4885GSK3B 842/4885
US-20090111985-A1 Synthesis of imidazooxazole and imidazothiazole inhibitors of p38 map kinase MAPK1, MAPK14, MAPK15 MAPK8 33/4885MAPK9 39/4885GSK3B 866/4885
US-20090136499-A1 RAF Inhibitors and Uses Thereof BRAF, RAF1, ARAF MAPK8 298/4885MAPK9 275/4885GSK3B 856/4885
US-20110301160-A1 Inhibitors of P38 and Methods of Using the Same MAPK1, MAPK7, MAPK8 MAPK8 3/4885MAPK9 35/4885GSK3B 593/4885

“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.