SCHEMBL13500131

SCHEMBL13500131

COc1cc2ncc(C#N)c(Nc3cc(Cl)c(F)cc3CN(CCCCCCl)C(=O)OCc3ccccc3)c2cc1OC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 13/20 0.47
▸ EGFR P00533 6/20 0.46
▸ ERBB2 P04626 5/20 0.46
▸ ABL1 P00519 3/20 0.44
▸ BCR P11274 3/20 0.44
▸ MAP2K1 Q02750 1/20 0.43
▸ STK4 Q13043 1/20 0.41

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
SCHEMBL13500129 0.96 SRC (0.46) SRCEGFRERBB2ABL1BCR
SCHEMBL13427175 0.85 SRC (0.48) SRCEGFRERBB2ABL1BCR
SCHEMBL13427176 0.81 SRC (0.47) SRCEGFRERBB2ABL1BCR
SCHEMBL13427186 0.77 SRC (0.53) SRCEGFRERBB2ABL1BCR
SCHEMBL15150223 0.74 MAP3K8 (0.45) SRCEGFRERBB2ABL1BCR
SCHEMBL13485435 0.72 KDR (0.46) SRCEGFRERBB2
SCHEMBL13485492 0.71 EGFR (0.41) SRCEGFRERBB2
SCHEMBL6384016 0.71 SRC (0.81) SRCEGFRERBB2ABL1BCR
Hydrochloric Acid SCHEMBL6384369 0.70 SRC (0.80) SRCEGFRERBB2ABL1BCR
SCHEMBL15150221 0.69 MAP3K8 (0.44) 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 7 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-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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-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.

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