SCHEMBL589781

SCHEMBL589781

Cc1ccc(Nc2ncc(F)c(N(C)c3ccc4c(C)n[nH]c4c3)n2)cc1NS(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 7/20 0.43
BACE1 P56817 2/20 0.41
CSNK2A1 P68400 1/20 0.39
GLO1 Q04760 2/20 0.38
ABCB11 O95342 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDR P35968 1/20 0.36
MAP2K4 P45985 1/20 0.36
ALK Q9UM73 1/20 0.36
EPHB4 P54760 1/20 0.35
JAK1 P23458 1/20 0.35
JAK3 P52333 1/20 0.35

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
SCHEMBL31672493 0.85 PAK1 (0.48) PAK1ABCB11PTGS2CYP3A4CYP2D6
SCHEMBL589156 0.85 PAK1 (0.42) PAK1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2873675 0.85 PAK1 (0.48) PAK1ABCB11PTGS2CYP3A4CYP2D6
SCHEMBL589280 0.84 BACE1 (0.47) BACE1CSNK2A1ABCB11PTGS1PTGS2
SCHEMBL5367911 0.84 PAK1 (0.46) PAK1CSNK2A1ABCB11CYP3A4CYP2D6
SCHEMBL589261 0.83 CDK2 (0.44) PAK1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL30454614 0.83 CDK2 (0.44) PAK1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2877133 0.82 KDR (0.46) PAK1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL31672441 0.82 KDR (0.46) PAK1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL589155 0.81 PAK1 (0.41) PAK1CSNK2A1KDRALKJAK3

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2311825-A1 Pyrimidineamines as angiogenesis modulators GlaxoSmithKline LLC (US) 2011-04-20 EP claimed
US-7262203-B2 Pyrimidineamines as angiogenesis modulators SMITHKLINE BEECHAM CORPORATION (US) 2007-08-28 US claimed
US-20070015756-A1 Chemical compounds NOVARTIS AG (CH) 2007-01-18 US claimed
US-20040242578-A1 Pyrimidineamines as angiogenesis modulators NOVARTIS AG (CH) 2004-12-02 US claimed
EP-4599890-A2 SUNITINIB FOR PREVENTING AND/OR TREATING AMYOTROPHIC LATERAL SCLEROSIS Kyoto University (JP) 2025-08-13 EP disclosed
CN-113181362-B Medicament for preventing and/or treating amyotrophic lateral sclerosis 国立大学法人京都大学 2023-06-13 CN disclosed
CN-113181362-A Agent for preventing and/or treating amyotrophic lateral sclerosis 国立大学法人京都大学 2021-07-30 CN disclosed
EP-3789027-A1 BOSUTINIB, SUNITINIB, TIVOZANIB, IMATINIB, NILOTINIB, REBASTINIB OR BAFETINIB FOR PREVENTING AND/OR TREATING AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2021-03-10 EP disclosed
US-20180000771-A1 AGENT FOR PREVENTING AND/OR TREATING AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2018-01-04 US disclosed
EP-3246046-A1 AGENT FOR PREVENTING AND/OR TREATING AMYOTROPHIC LATERAL SCLEROSIS Kyoto University (JP) 2017-11-22 EP disclosed
EP-2311825-B1 Pyrimidineamines as angiogenesis modulators NOVARTIS AG (CH) 2015-10-07 EP disclosed
EP-2311825-B1 Pyrimidineamines as angiogenesis modulators NOVARTIS AG (CH) 2015-10-07 EP disclosed
US-7262203-B2 Pyrimidineamines as angiogenesis modulators SMITHKLINE BEECHAM CORPORATION (US) 2007-08-28 US disclosed
US-20070015756-A1 Chemical compounds NOVARTIS AG (CH) 2007-01-18 US disclosed
US-20070015756-A1 Chemical compounds NOVARTIS AG (CH) 2007-01-18 US disclosed
US-20070015756-A1 Chemical compounds NOVARTIS AG (CH) 2007-01-18 US disclosed
US-7105530-B2 inhibitors of vascular endothelial growth factor receptor-2 kinase; pazopanib and salts; for proliferative retinopathy; anticancer SMITHKLINE BEECHAM CORPORATION (US) 2006-09-12 US disclosed
US-20040242578-A1 Pyrimidineamines as angiogenesis modulators NOVARTIS AG (CH) 2004-12-02 US disclosed
EP-1343782-A1 PYRIMIDINEAMINES AS ANGIOGENESIS MODULATORS GLAXO GROUP LIMITED (GB) 2003-09-17 EP disclosed
WO-2002059110-A1 PYRIMIDINEAMINES AS ANGIOGENESIS MODULATORS GLAXO GROUP LIMITED (GB) 2002-08-01 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 (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-20040242578-A1 Pyrimidineamines as angiogenesis modulators TYMS, TYMP, DPYD PAK1 969/4885BACE1 4585/4885CSNK2A1 3335/4885
US-20070015756-A1 Chemical compounds KDR, FLT4, FLT1 PAK1 189/4885BACE1 4335/4885CSNK2A1 2678/4885
US-20180000771-A1 AGENT FOR PREVENTING AND/OR TREATING AMYOTROPHIC LATERAL SCLEROSIS WEE2, WEE1, ERBB2 PAK1 573/4885BACE1 1142/4885CSNK2A1 450/4885

“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.