SCHEMBL297048

SCHEMBL297048

COc1cc2ncnc(Oc3cnc4[nH]ccc4c3)c2cc1OCCCN1CCN(S(C)(=O)=O)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 2/20 0.55
BRAF P15056 2/20 0.55
FLT4 P35916 16/20 0.49
KDR P35968 16/20 0.49
PDGFRB P09619 3/20 0.49
TEK Q02763 3/20 0.49
AURKB Q96GD4 3/20 0.49
AURKA O14965 2/20 0.49
FLT1 P17948 14/20 0.48
SRC P12931 2/20 0.47
PLK4 O00444 1/20 0.47
GAK O14976 1/20 0.47
EPHB6 O15197 1/20 0.47
RIPK2 O43353 1/20 0.47
ERN1 O75460 1/20 0.47
STK10 O94804 1/20 0.47
MAP4K4 O95819 1/20 0.47
CHEK2 O96017 1/20 0.47
ABL1 P00519 1/20 0.47
EGFR P00533 1/20 0.47

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
SCHEMBL1401661 1.00 RAF1 (0.55) RAF1BRAFFLT4KDRPDGFRB
SCHEMBL13791487 0.91 KDR (0.59) RAF1BRAFFLT4KDRPDGFRB
SCHEMBL13471995 0.91 KDR (0.59) RAF1BRAFFLT4KDRPDGFRB
SCHEMBL1401785 0.90 KDR (0.52) FLT4KDRPDGFRBTEKAURKB
SCHEMBL4383506 0.90 FLT4 (0.58) FLT4KDRPDGFRBTEKAURKB
SCHEMBL5569551 0.90 FLT4 (0.49) RAF1BRAFFLT4KDRPDGFRB
SCHEMBL4384409 0.89 ABCB11 (0.58) RAF1BRAFFLT4KDRPDGFRB
SCHEMBL14421786 0.88 FLT4 (0.51) FLT4KDRPDGFRBTEKAURKB
SCHEMBL1401740 0.88 FLT4 (0.51) FLT4KDRPDGFRBTEKAURKB
SCHEMBL295950 0.88 FLT1 (0.53) FLT4KDRFLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2292615-A1 Quinazoline compounds AstraZeneca AB (SE) 2011-03-09 EP claimed
US-20080027069-A1 Quinazoline compounds ASTRAZENECA AB 2008-01-31 US claimed
US-20050085465-A1 Angiogenesis inhibitor; antiarthritic agents; psoriasis; anticancer agents ASTRAZENECA AB (SE) 2005-04-21 US claimed
EP-1474420-A1 QUINAZOLINE COMPOUNDS Astrazeneca AB (SE) 2004-11-10 EP claimed
WO-2003064413-A1 QUINAZOLINE COMPOUNDS ASTRAZENECA AB (SE) 2003-08-07 WO claimed
US-8293902-B2 Quinazoline compounds ASTRAZENECA AB (SE) 2012-10-23 US disclosed
US-8268858-B2 e.g. 5-(3-methoxybenzyloxy)-1H-pyrrolo[2,3-b]pyridine; protein kinases inhibitor; central nervous system disorders; Alzheimer's disease; Parkinson's disease; anticancer, antitumor agents; analgesics; cogestive heart failure; skin disorders; inflammatory bowel disorders; transplant rejection PLEXXIKON INC. (US) 2012-09-18 US disclosed
US-8268858-B2 e.g. 5-(3-methoxybenzyloxy)-1H-pyrrolo[2,3-b]pyridine; protein kinases inhibitor; central nervous system disorders; Alzheimer's disease; Parkinson's disease; anticancer, antitumor agents; analgesics; cogestive heart failure; skin disorders; inflammatory bowel disorders; transplant rejection PLEXXIKON INC. (US) 2012-09-18 US disclosed
EP-1474420-B1 QUINAZOLINE COMPOUNDS ASTRAZENECA AB (SE) 2012-03-14 EP disclosed
EP-2292615-A1 Quinazoline compounds AstraZeneca AB (SE) 2011-03-09 EP disclosed
US-20090156821-A1 Quinazoline compounds ASTRAZENECA AB 2009-06-18 US disclosed
US-20080188514-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-08-07 US disclosed
US-20080188514-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-08-07 US disclosed
US-20080027069-A1 Quinazoline compounds ASTRAZENECA AB 2008-01-31 US disclosed
US-7268230-B2 Quinazoline compounds ASTRAZENECA AB (SE) 2007-09-11 US disclosed
US-20050085465-A1 Angiogenesis inhibitor; antiarthritic agents; psoriasis; anticancer agents ASTRAZENECA AB (SE) 2005-04-21 US disclosed
EP-1474420-A1 QUINAZOLINE COMPOUNDS Astrazeneca AB (SE) 2004-11-10 EP disclosed
WO-2003064413-A1 QUINAZOLINE COMPOUNDS ASTRAZENECA AB (SE) 2003-08-07 WO 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-20050085465-A1 Angiogenesis inhibitor; antiarthritic agents; psoriasis; anticancer agents VEGFA, FLT4, FLT1 RAF1 1137/4885BRAF 1314/4885FLT4 2/4885
US-20080188514-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 RAF1 78/4885BRAF 48/4885FLT4 1314/4885
US-20090156821-A1 Quinazoline compounds VEGFA, FLT4, FLT1 RAF1 553/4885BRAF 1125/4885FLT4 2/4885
US-20080027069-A1 Quinazoline compounds VEGFA, FLT4, FLT1 RAF1 553/4885BRAF 1125/4885FLT4 2/4885

“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.