SCHEMBL589166

SCHEMBL589166

Cc1n[nH]c2cc(N(C)c3nc(N)ncc3-c3cc(S(C)(=O)=O)ccc3F)ccc12

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.36
SGK1 O00141 2/20 0.33
BRD4 O60885 1/20 0.33
METAP2 P50579 1/20 0.31
SCD O00767 2/20 0.31
MAP2K7 O14733 1/20 0.31
MAP2K4 P45985 1/20 0.31
PTGS2 P35354 4/20 0.31
PTGS1 P23219 3/20 0.31
PDE4B Q07343 1/20 0.30
FADS1 O60427 1/20 0.30
PAK1 Q13153 1/20 0.30

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
SCHEMBL588668 0.88 LRRK2 (0.35) LRRK2SGK1BRD4METAP2PTGS2
SCHEMBL589706 0.80 JAK2 (0.43) LRRK2SGK1SCD
SCHEMBL589780 0.80 BRD4 (0.36) BRD4
SCHEMBL589152 0.79 TUBB3 (0.32)
SCHEMBL589060 0.75 SGK1 (0.34) SGK1
SCHEMBL2873675 0.74 PAK1 (0.48) LRRK2MAP2K7MAP2K4PTGS2PAK1
SCHEMBL31672493 0.74 PAK1 (0.48) LRRK2MAP2K7MAP2K4PTGS2PAK1
SCHEMBL589290 0.72 HAO1 (0.34) LRRK2SGK1
SCHEMBL31672408 0.71 KDR (0.47) MAP2K4
SCHEMBL10151215 0.71 KDR (0.47) MAP2K4

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 19 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-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
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 LRRK2 2996/4885SGK1 4755/4885BRD4 604/4885
US-20070015756-A1 Chemical compounds KDR, FLT4, FLT1 LRRK2 1736/4885SGK1 2944/4885BRD4 594/4885
US-20100105712-A1 CHEMICAL COMPOUNDS KDR, FLT4, FLT1 LRRK2 1736/4885SGK1 2944/4885BRD4 594/4885
US-20180000771-A1 AGENT FOR PREVENTING AND/OR TREATING AMYOTROPHIC LATERAL SCLEROSIS WEE2, WEE1, ERBB2 LRRK2 377/4885SGK1 204/4885BRD4 1292/4885
US-20120277258-A1 Chemical Compounds KDR, FLT4, FLT1 LRRK2 1736/4885SGK1 2944/4885BRD4 594/4885
US-20070270427-A1 CHEMICAL COMPOUNDS KDR, FLT4, FLT1 LRRK2 1736/4885SGK1 2944/4885BRD4 594/4885
US-20070292513-A1 CHEMICAL COMPOUNDS KDR, FLT4, FLT1 LRRK2 1736/4885SGK1 2944/4885BRD4 594/4885

“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.