SCHEMBL3810779

SCHEMBL3810779

CS(=O)(=O)N1CCC(Nc2nccc(-c3c(-c4ccccc4Cl)nc4occn34)n2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 7/20 0.54
CDK2 P24941 6/20 0.54
MAPK8 P45983 5/20 0.54
MAPK9 P45984 5/20 0.54
PRKD3 O94806 3/20 0.54
MAP4K4 O95819 3/20 0.54
MAPK1 P28482 3/20 0.54
CSNK1A1 P48729 3/20 0.54
GSK3A P49840 3/20 0.54
GSK3B P49841 3/20 0.54
CSNK1G2 P78368 3/20 0.54
TAOK1 Q7L7X3 3/20 0.54
MINK1 Q8N4C8 3/20 0.54
PRKD2 Q9BZL6 3/20 0.54
CSNK1G1 Q9HCP0 3/20 0.54
CSNK1G3 Q9Y6M4 3/20 0.54
CSNK1D P48730 2/20 0.54
CLK4 Q9HAZ1 2/20 0.54
CLK2 P49760 1/20 0.50
AURKB Q96GD4 1/20 0.50

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
SCHEMBL3818827 0.91 CDK2 (0.55) IKBKBCDK2MAPK8MAPK9PRKD3
SCHEMBL3817051 0.89 CDK2 (0.59) IKBKBCDK2MAPK8MAPK9PRKD3
SCHEMBL3813008 0.87 MAPK9 (0.71) IKBKBCDK2MAPK8MAPK9PRKD3
SCHEMBL3811366 0.85 MAPK8 (0.69) IKBKBCDK2MAPK8MAPK9PRKD3
Hydrochloric Acid SCHEMBL2746007 0.84 MAPK8 (0.68) IKBKBCDK2MAPK8MAPK9PRKD3
SCHEMBL3812992 0.83 MAPK8 (0.76) IKBKBCDK2MAPK8MAPK9PRKD3
SCHEMBL2745813 0.83 MAPK9 (0.57) CDK2MAPK8MAPK9PRKD3MAP4K4
SCHEMBL2745991 0.82 PRKD3 (0.50) IKBKBCDK2MAPK8MAPK9PRKD3
SCHEMBL2745989 0.82 PRKD3 (0.50) IKBKBCDK2MAPK8MAPK9PRKD3
SCHEMBL12042804 0.82 MAPK9 (0.59) IKBKBCDK2MAPK8MAPK9PRKD3

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-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
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
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-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 (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 IKBKB 78/4885CDK2 393/4885MAPK8 2/4885
US-20070281955-A1 RAF inhibitors and their uses BRAF, RAF1, ARAF IKBKB 421/4885CDK2 55/4885MAPK8 301/4885
US-20090136499-A1 RAF Inhibitors and Uses Thereof BRAF, RAF1, ARAF IKBKB 422/4885CDK2 86/4885MAPK8 298/4885
US-20110301160-A1 Inhibitors of P38 and Methods of Using the Same MAPK1, MAPK7, MAPK8 IKBKB 82/4885CDK2 367/4885MAPK8 3/4885

“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.