SCHEMBL3219481

SCHEMBL3219481

COc1cc2ncc(C#N)c(Nc3cc(Br)ccc3C[CH]CCCCOC(C)=O)c2cc1OC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SRC P12931 10/20 0.52
EGFR P00533 10/20 0.49
ERBB2 P04626 10/20 0.49
GAK O14976 1/20 0.47
ABL1 P00519 1/20 0.44
BCR P11274 1/20 0.44

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
SCHEMBL535751 0.84 HDAC3 (0.48) EGFR
SCHEMBL3231489 0.81 SRC (0.53) SRCEGFRERBB2GAKABL1
SCHEMBL535675 0.77 KDR (0.48) SRCEGFRERBB2GAKABL1
SCHEMBL535716 0.77 KDR (0.48) SRCEGFRERBB2GAKABL1
SCHEMBL535152 0.76 KDR (0.54) SRCEGFR
SCHEMBL13427165 0.73 SRC (0.59) SRCEGFRERBB2ABL1BCR
SCHEMBL3181837 0.71 EGFR (0.52) EGFRERBB2
SCHEMBL13427150 0.71 EGFR (0.51) SRCEGFRERBB2ABL1BCR
SCHEMBL13310095 0.70 HDAC3 (0.48) EGFR
SCHEMBL13499677 0.68 EGFR (0.47) SRCEGFRERBB2ABL1BCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9365517-B2 3-cyano-quinoline derivatives with antiproliferative activity JANSSEN PHARMACEUTICA NV (BE) 2016-06-14 US disclosed
US-9040511-B2 3-cyano-quinoline derivatives with antiproliferative activity JANSSEN PHARMACEUTICA NV (BE) 2015-05-26 US disclosed
US-20140256948-A1 3-CYANO-QUINOLINE DERIVATIVES WITH ANTIPROLIFERATIVE ACTIVITY JANSSEN PHARMACEUTICA NV (BE) 2014-09-11 US disclosed
US-8778920-B2 3-cyano-quinoline derivatives with antiproliferative activity JANSSEN PHARMACEUTICA NV (BE) 2014-07-15 US disclosed
US-20130197022-A1 3-CYANO-QUINOLINE DERIVATIVES WITH ANTIPROLIFERATIVE ACTIVITY JANSSEN PHARMACEUTICA N.V. (BE) 2013-08-01 US disclosed
US-20100069424-A1 3-CYANO-QUINOLINE DERIVATIVES WITH ANTIPROLIFERATIVE ACTIVITY FREYNE EDDY JEAN EDGARD 2010-03-18 US disclosed
US-7655642-B2 e.g. 7-bromo-23-methoxy-12-oxo-10,11,12,13,14,15,16,17,18,19-decahydro-5H-1,21-(ethanediylidene)pyrido[4,3-b][6,1,10,13]benzoxatriazacyclooctadecine-4-carbonitrile; tyrosine kinase, angiogenesis inhibitor; growth factors (epidermal, fibroblast, platelet, endothelial) antagonist; antiproliferative agent JANSSEN PHARMACEUTICA N.V. (BE) 2010-02-02 US disclosed
EP-1696914-B1 3-CYANO-QUINOLINE DERIVATIVES WITH ANTIPROLIFERATIVE ACTIVITY JANSSEN PHARMACEUTICA NV (BE) 2009-10-28 EP disclosed
US-20080139601-A1 e.g. 7-bromo-23-methoxy-12-oxo-10,11,12,13,14,15,16,17,18,19-decahydro-5H-1,21-(ethanediylidene)pyrido[4,3-b][6,1,10,13]benzoxatriazacyclooctadecine-4-carbonitrile; tyrosine kinase, angiogenesis inhibitor; growth factors (epidermal, fibroblast, platelet, endothelial) antagonist; antiproliferative agent JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-12 US disclosed
EP-1696914-A1 3-CYANO-QUINOLINE DERIVATIVES WITH ANTIPROLIFERATIVE ACTIVITY JANSSEN PHARMACEUTICA N.V. (BE) 2006-09-06 EP disclosed
WO-2005058318-A1 3-CYANO-QUINOLINE DERIVATIVES WITH ANTIPROLIFERATIVE ACTIVITY JANSSEN PHARMACEUTICA N.V. (BE) 2005-06-30 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-20140256948-A1 3-CYANO-QUINOLINE DERIVATIVES WITH ANTIPROLIFERATIVE ACTIVITY NR1H3, NR1H2, NR1D1 SRC 1724/4885EGFR 3349/4885ERBB2 2568/4885
US-20130197022-A1 3-CYANO-QUINOLINE DERIVATIVES WITH ANTIPROLIFERATIVE ACTIVITY NR1H3, NR1H2, NR1D1 SRC 1724/4885EGFR 3349/4885ERBB2 2568/4885
US-20100069424-A1 3-CYANO-QUINOLINE DERIVATIVES WITH ANTIPROLIFERATIVE ACTIVITY NR1H3, NR1H2, NR1D1 SRC 1724/4885EGFR 3349/4885ERBB2 2568/4885
US-20080139601-A1 e.g. 7-bromo-23-methoxy-12-oxo-10,11,12,13,14,15,16,17,18,19-decahydro-5H-1,21-(ethanediylidene)pyrido[4,3-b][6,1,10,13]benzoxatriazacyclooctadecine-4-carbonitrile; tyrosine kinase, angiogenesis inhibitor; growth factors (epidermal, fibroblast, platelet, endothelial) antagonist; antiproliferative agent KDR, PDGFRB, NR1H2 SRC 269/4885EGFR 27/4885ERBB2 45/4885

“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.