SCHEMBL588945

SCHEMBL588945

CCS(=O)(=O)c1ccc(OC)c(-c2cnc(N)nc2Nc2ccc3c(C)n[nH]c3c2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PIK3CA P42336 2/20 0.37
BRAF P15056 1/20 0.36
BRD4 O60885 1/20 0.36
TP53 P04637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
AGPAT2 O15120 1/20 0.34
KDR P35968 5/20 0.34
FLT1 P17948 4/20 0.34
FLT4 P35916 4/20 0.34
JAK2 O60674 1/20 0.34
CLK1 P49759 2/20 0.34
DYRK1A Q13627 2/20 0.34
CCNT1 O60563 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
CDK9 P50750 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
SCHEMBL588665 0.92 PDE5A (0.36) MEN1KMT2APIK3CABRAFTP53
SCHEMBL589718 0.88 METAP2 (0.37) MEN1KMT2APIK3CABRAFTP53
SCHEMBL589780 0.82 BRD4 (0.36) BRD4TP53DRD2DRD3JAK2
SCHEMBL588723 0.80 HRH4 (0.37) BRD4DRD2DRD3JAK2
SCHEMBL1687025 0.75 ALK (0.40) KDRJAK2
SCHEMBL1116469 0.74 KDR (0.46) MEN1KMT2ABRD4KDRFLT1
SCHEMBL588668 0.74 LRRK2 (0.35) BRD4TP53KDRSGK1
SCHEMBL31672486 0.74 KDR (0.46) MEN1KMT2ABRD4KDRFLT1
SCHEMBL589299 0.73 RECQL (0.40) MEN1KMT2APIK3CABRD4L3MBTL1
Hydrochloric Acid SCHEMBL589087 0.72 RECQL (0.40) MEN1KMT2APIK3CABRD4L3MBTL1

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 22 patents — showing the first 20. 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
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
US-20100105712-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2010-04-29 US disclosed
EP-1343782-B1 PYRIMIDINEAMINES AS ANGIOGENESIS MODULATORS SMITHKLINE BEECHAM CORP (US) 2009-05-06 EP 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 MEN1 4640/4885KMT2A 1430/4885PIK3CA 205/4885
US-20070015756-A1 Chemical compounds KDR, FLT4, FLT1 MEN1 3177/4885KMT2A 1583/4885PIK3CA 39/4885
US-20100105712-A1 CHEMICAL COMPOUNDS KDR, FLT4, FLT1 MEN1 3177/4885KMT2A 1583/4885PIK3CA 39/4885
US-20180000771-A1 AGENT FOR PREVENTING AND/OR TREATING AMYOTROPHIC LATERAL SCLEROSIS WEE2, WEE1, ERBB2 MEN1 4752/4885KMT2A 2204/4885PIK3CA 374/4885
US-20120277258-A1 Chemical Compounds KDR, FLT4, FLT1 MEN1 3177/4885KMT2A 1583/4885PIK3CA 39/4885
US-20070270427-A1 CHEMICAL COMPOUNDS KDR, FLT4, FLT1 MEN1 3177/4885KMT2A 1583/4885PIK3CA 39/4885
US-20070292513-A1 CHEMICAL COMPOUNDS KDR, FLT4, FLT1 MEN1 3177/4885KMT2A 1583/4885PIK3CA 39/4885

“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.