SCHEMBL589780

SCHEMBL589780

CCS(=O)(=O)c1ccc(OC)c(-c2cnc(N)nc2N(C)c2ccc3c(C)n[nH]c3c2)c1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.36
DRD2 P14416 13/20 0.36
DRD3 P35462 13/20 0.36
JAK2 O60674 1/20 0.34
TUBB3 Q13509 1/20 0.33
TP53 P04637 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
SCHEMBL588668 0.92 LRRK2 (0.35) BRD4TUBB3TP53
SCHEMBL588723 0.90 HRH4 (0.37) BRD4DRD2DRD3JAK2
SCHEMBL589152 0.90 TUBB3 (0.32) TUBB3TP53
SCHEMBL589706 0.87 JAK2 (0.43) JAK2
SCHEMBL588725 0.85 DRD2 (0.35) BRD4DRD2DRD3JAK2TUBB3
SCHEMBL589299 0.83 RECQL (0.40) BRD4DRD2DRD3JAK2
Hydrochloric Acid SCHEMBL589087 0.82 RECQL (0.40) BRD4DRD2DRD3JAK2
SCHEMBL588945 0.82 MEN1 (0.38) BRD4DRD2DRD3JAK2TP53
SCHEMBL589166 0.80 LRRK2 (0.36) BRD4
SCHEMBL10151145 0.76 KDR (0.41)

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 BRD4 604/4885DRD2 2626/4885DRD3 3934/4885
US-20070015756-A1 Chemical compounds KDR, FLT4, FLT1 BRD4 594/4885DRD2 3093/4885DRD3 3822/4885
US-20100105712-A1 CHEMICAL COMPOUNDS KDR, FLT4, FLT1 BRD4 594/4885DRD2 3093/4885DRD3 3822/4885
US-20180000771-A1 AGENT FOR PREVENTING AND/OR TREATING AMYOTROPHIC LATERAL SCLEROSIS WEE2, WEE1, ERBB2 BRD4 1292/4885DRD2 3304/4885DRD3 3340/4885
US-20120277258-A1 Chemical Compounds KDR, FLT4, FLT1 BRD4 594/4885DRD2 3093/4885DRD3 3822/4885
US-20070270427-A1 CHEMICAL COMPOUNDS KDR, FLT4, FLT1 BRD4 594/4885DRD2 3093/4885DRD3 3822/4885
US-20070292513-A1 CHEMICAL COMPOUNDS KDR, FLT4, FLT1 BRD4 594/4885DRD2 3093/4885DRD3 3822/4885

“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.