Sugi Predict

Sugi Predict / Compounds / SCHEMBL588665

SCHEMBL588665

SCHEMBL588665

COc1ccc(S(=O)(=O)CC(C)C)cc1-c1cnc(N)nc1Nc1ccc2c(C)n[nH]c2c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 2/20 0.36
▸ KDR P35968 3/20 0.35
▸ RET P07949 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ BRAF P15056 1/20 0.35
▸ LRRK2 Q5S007 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ AGPAT2 O15120 3/20 0.34
▸ CYP17A1 P05093 1/20 0.34
▸ PIK3CA P42336 2/20 0.34
▸ BCL6 P41182 1/20 0.34
▸ NCOR2 Q9Y618 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ EGFR P00533 1/20 0.32
▸ SGK1 O00141 1/20 0.32

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
SCHEMBL588945 0.92 MEN1 (0.38) KDRRETL3MBTL1BRAFTP53
SCHEMBL589718 0.85 METAP2 (0.37) KDRL3MBTL1BRAFTP53PIK3CA
SCHEMBL588723 0.76 HRH4 (0.37) —
SCHEMBL1687025 0.76 ALK (0.40) KDRLRRK2
SCHEMBL31672403 0.76 KDR (0.44) KDREGFR
SCHEMBL1116463 0.76 KDR (0.44) KDREGFR
SCHEMBL589780 0.74 BRD4 (0.36) TP53
SCHEMBL589152 0.73 TUBB3 (0.32) TP53
SCHEMBL588668 0.72 LRRK2 (0.35) KDRLRRK2TP53EGFRSGK1
SCHEMBL30453854 0.68 MAPK8 (0.31) —

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2311825-B1 Pyrimidineamines as angiogenesis modulators NOVARTIS AG (CH) 2015-10-07 — — EP claimed
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-20040242578-A1 Pyrimidineamines as angiogenesis modulators NOVARTIS AG (CH) 2004-12-02 — — US claimed
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-8114885-B2 Pazopanib hydrochloride and synthesis, chemical intermediates, and dosage forms thereof; anticancer; colon cancer, breast cancer GLAXOSMITHKLINE LLC (US) 2012-02-14 — — US disclosed
EP-2311825-A1 Pyrimidineamines as angiogenesis modulators GlaxoSmithKline LLC (US) 2011-04-20 — — EP disclosed
US-7858626-B2 Pyrimidineamines as angiogenesis modulators GLAXOSMITHKLINE LLC (US) 2010-12-28 — — US disclosed
US-20100105712-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2010-04-29 — — US disclosed
US-20070292513-A1 CHEMICAL COMPOUNDS NOVARTIS AG (CH) 2007-12-20 — — US disclosed
US-20070270427-A1 CHEMICAL COMPOUNDS NOVARTIS AG (CH) 2007-11-22 — — 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-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 (7 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 PDE5A 1459/4885KDR 5/4885RET 202/4885
US-20070015756-A1 Chemical compounds KDR, FLT4, FLT1 PDE5A 2151/4885KDR 1/4885RET 32/4885
US-20100105712-A1 CHEMICAL COMPOUNDS KDR, FLT4, FLT1 PDE5A 2151/4885KDR 1/4885RET 32/4885
US-20180000771-A1 AGENT FOR PREVENTING AND/OR TREATING AMYOTROPHIC LATERAL SCLEROSIS WEE2, WEE1, ERBB2 PDE5A 3231/4885KDR 648/4885RET 355/4885
US-20120277258-A1 Chemical Compounds KDR, FLT4, FLT1 PDE5A 2151/4885KDR 1/4885RET 32/4885
US-20070270427-A1 CHEMICAL COMPOUNDS KDR, FLT4, FLT1 PDE5A 2151/4885KDR 1/4885RET 32/4885
US-20070292513-A1 CHEMICAL COMPOUNDS KDR, FLT4, FLT1 PDE5A 2151/4885KDR 1/4885RET 32/4885

“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.