SCHEMBL589246

SCHEMBL589246

CNS(=O)(=O)c1ccc(OC)c(Nc2ncc(F)c(N(C)c3ccc4c(C)n[nH]c4c3)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TNNI3K Q59H18 11/20 0.41
BRAF P15056 6/20 0.38
PARP1 P09874 1/20 0.36
KDR P35968 1/20 0.36
PAK1 Q13153 1/20 0.36
MAP2K4 P45985 1/20 0.36
GAK O14976 1/20 0.35
LRRK2 Q5S007 1/20 0.34
ZAP70 P43403 1/20 0.34

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
SCHEMBL30453738 1.00 TNNI3K (0.41) TNNI3KBRAFPARP1KDRPAK1
SCHEMBL588579 0.92 KDR (0.36) TNNI3KPARP1KDRPAK1MAP2K4
SCHEMBL31672566 0.92 KDR (0.41) PARP1KDRPAK1
SCHEMBL10151145 0.92 KDR (0.41) PARP1KDRPAK1
SCHEMBL31672412 0.90 ALK (0.39) PARP1KDRPAK1
SCHEMBL2877867 0.90 ALK (0.39) PARP1KDRPAK1
SCHEMBL30453279 0.85 LRRK2 (0.38) KDRPAK1LRRK2
SCHEMBL589240 0.85 LRRK2 (0.38) KDRPAK1LRRK2
SCHEMBL589264 0.85 KDR (0.46) TNNI3KBRAFPARP1KDRMAP2K4
SCHEMBL30453307 0.85 KDR (0.46) TNNI3KBRAFPARP1KDRMAP2K4

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 35 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
US-20120277258-A1 Chemical Compounds LEO OSPREY LIMITED (JE) 2012-11-01 US disclosed
US-7262203-B2 Pyrimidineamines as angiogenesis modulators SMITHKLINE BEECHAM CORPORATION (US) 2007-08-28 US disclosed
US-7262203-B2 Pyrimidineamines as angiogenesis modulators SMITHKLINE BEECHAM CORPORATION (US) 2007-08-28 US 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

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-20040242578-A1 Pyrimidineamines as angiogenesis modulators TYMS, TYMP, DPYD TNNI3K 538/4885BRAF 449/4885PARP1 563/4885
US-20070015756-A1 Chemical compounds KDR, FLT4, FLT1 TNNI3K 556/4885BRAF 53/4885PARP1 148/4885
US-20180000771-A1 AGENT FOR PREVENTING AND/OR TREATING AMYOTROPHIC LATERAL SCLEROSIS WEE2, WEE1, ERBB2 TNNI3K 1098/4885BRAF 73/4885PARP1 2253/4885
US-20120277258-A1 Chemical Compounds KDR, FLT4, FLT1 TNNI3K 556/4885BRAF 53/4885PARP1 148/4885

“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.