SCHEMBL4992409

SCHEMBL4992409

COc1cc(Nc2c(C#N)cnc3cc4cc(OCCCl)c(OC)cc4cc23)c(Cl)cc1Cl

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 20/20 0.76
ABL1 P00519 5/20 0.73
EGFR P00533 2/20 0.73
ERBB2 P04626 2/20 0.73
FYN P06241 2/20 0.73
LYN P07948 2/20 0.73
BCR P11274 3/20 0.73
ABL2 P42684 2/20 0.66
STK25 O00506 1/20 0.65
CIT O14578 1/20 0.65
RIOK3 O14730 1/20 0.65
MAP2K7 O14733 1/20 0.65
CHEK1 O14757 1/20 0.65
CASK O14936 1/20 0.65
GAK O14976 1/20 0.65
EPHB6 O15197 1/20 0.65
MAP3K13 O43283 1/20 0.65
MAP3K7 O43318 1/20 0.65
RIPK2 O43353 1/20 0.65
NUAK1 O60285 1/20 0.65

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
SCHEMBL5253177 1.00 SRC (0.76) SRCABL1EGFRERBB2FYN
SCHEMBL4985249 0.96 SRC (0.76) SRCABL1EGFRERBB2FYN
SCHEMBL6186881 0.93 SRC (0.85) SRCABL1EGFRERBB2FYN
SCHEMBL5254534 0.93 SRC (0.86) SRCABL1EGFRERBB2FYN
SCHEMBL5254864 0.93 SRC (0.86) SRCABL1EGFRERBB2FYN
SCHEMBL5255023 0.93 SRC (0.75) SRCABL1EGFRERBB2FYN
SCHEMBL5251855 0.93 SRC (0.75) SRCABL1EGFRERBB2FYN
SCHEMBL5251692 0.92 SRC (0.75) SRCABL1EGFRERBB2FYN
SCHEMBL5253908 0.92 SRC (0.75) SRCABL1EGFRERBB2FYN
SCHEMBL29618203 0.90 SRC (0.85) SRCABL1EGFRERBB2FYN

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242382-B1 TRICYCLIC PROTEIN KINASE INHIBITORS WYETH CORP (US) 2007-02-07 EP claimed
EP-1747206-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2007-01-31 EP claimed
US-20060247217-A1 Tricyclic protein kinase inhibitors BERGER DAN M 2006-11-02 US claimed
WO-2005111003-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2005-11-24 WO claimed
US-20040110762-A1 Tricyclic protein kinase inhibitors WYETH 2004-06-10 US claimed
US-6638929-B2 Compounds containing nicotinonitrile rings; anticarcinogenic and -tumor agents; polycystic kidney disease and colonic polyps; antiproliferative agents; angiogenesis inhibitors; restenosis; atherosclerosis; angiofibromas; hemangiomas; WYETH 2003-10-28 US claimed
US-20010051620-A1 Tricyclic protein kinase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 2001-12-13 US claimed
US-20080171874-A1 METHOD FOR THE REGIOSELECTIVE PREPARATION OF SUBSTITUTED BENZO[G]QUINOLINE-3-CARBONITRILES AND BENZO[G]QUINAZOLINES WYETH (US) 2008-07-17 US disclosed
US-7365197-B2 Method for the regioselective preparation of substituted benzo[g]quinoline-3-carbonitriles and benzo[g]quinazolines WYETH (US) 2008-04-29 US disclosed
EP-1242382-B1 TRICYCLIC PROTEIN KINASE INHIBITORS WYETH CORP (US) 2007-02-07 EP disclosed
US-20060247217-A1 Tricyclic protein kinase inhibitors BERGER DAN M 2006-11-02 US disclosed
US-7105531-B2 Tricyclic protein kinase inhibitors WYETH (US) 2006-09-12 US disclosed
US-20060041127-A1 Method for the regioselective preparation of substituted benzo[g]quinoline-3-carbonitriles and benzo[g]quinazolines WYETH 2006-02-23 US disclosed
US-6638929-B2 Compounds containing nicotinonitrile rings; anticarcinogenic and -tumor agents; polycystic kidney disease and colonic polyps; antiproliferative agents; angiogenesis inhibitors; restenosis; atherosclerosis; angiofibromas; hemangiomas; WYETH 2003-10-28 US disclosed
EP-1345889-A1 METHOD FOR THE REGIOSELECTIVE PREPARATION OF SUBSTITUTED BENZO G]QUINOLINE-3-CARBONITRILES AND BENZO G]QUINAZOLINES Wyeth (US) 2003-09-24 EP disclosed
EP-1242382-A1 TRICYCLIC PROTEIN KINASE INHIBITORS Wyeth (US) 2002-09-25 EP disclosed
US-20020091273-A1 Method for the regioselective preparation of substituted benzo[g]quinoline3-carbonitriles and benzo[g]quinazolines AMERICAN HOME PRODUCTS CORPORATION 2002-07-11 US disclosed
WO-2002053528-A1 METHOD FOR THE REGIOSELECTIVE PREPARATION OF SUBSTITUTED BENZO[G]QUINOLINE-3-CARBONITRILES AND BENZO[G]QUINAZOLINES WYETH (US) 2002-07-11 WO disclosed
US-20010051620-A1 Tricyclic protein kinase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 2001-12-13 US disclosed
WO-2001047892-A1 TRICYCLIC PROTEIN KINASE INHIBITORS WYETH (US) 2001-07-05 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 (6 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-20040110762-A1 Tricyclic protein kinase inhibitors CDK1, CDKN1A, CDK2 SRC 104/4885ABL1 4/4885EGFR 172/4885
US-20080171874-A1 METHOD FOR THE REGIOSELECTIVE PREPARATION OF SUBSTITUTED BENZO[G]QUINOLINE-3-CARBONITRILES AND BENZO[G]QUINAZOLINES PDXK, PKD1, GLS SRC 1554/4885ABL1 210/4885EGFR 1517/4885
US-20060247217-A1 Tricyclic protein kinase inhibitors CDK1, CDKN1A, CDK2 SRC 117/4885ABL1 4/4885EGFR 173/4885
US-20010051620-A1 Tricyclic protein kinase inhibitors CDK1, CHEK1, ABL1 SRC 134/4885ABL1 3/4885EGFR 337/4885
US-20060041127-A1 Method for the regioselective preparation of substituted benzo[g]quinoline-3-carbonitriles and benzo[g]quinazolines PDXK, PKD1, GLS SRC 1554/4885ABL1 210/4885EGFR 1517/4885
US-20020091273-A1 Method for the regioselective preparation of substituted benzo[g]quinoline3-carbonitriles and benzo[g]quinazolines PDXK, PKD1, PFKP SRC 1645/4885ABL1 224/4885EGFR 1539/4885

“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.