SCHEMBL4984590

SCHEMBL4984590

COc1cc2cc3c(Nc4ccc(Sc5nccn5C)c(Cl)c4)c(C#N)cnc3cc2cc1OCCCN1CCOCC1

nearest known ligand 0.91

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 15/20 0.91
IGF1R P08069 8/20 0.91
MAPK3 P27361 1/20 0.91
MAPK1 P28482 1/20 0.91
MAP3K1 Q13233 1/20 0.91
EGFR P00533 1/20 0.67
ERBB2 P04626 1/20 0.67

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
SCHEMBL4986096 0.97 MAP2K1 (0.85) MAP2K1IGF1RMAPK3MAPK1MAP3K1
SCHEMBL344875 0.95 MAP2K1 (1.00) MAP2K1IGF1RMAPK3MAPK1MAP3K1
SCHEMBL4988250 0.91 IGF1R (0.80) MAP2K1IGF1RMAPK3MAPK1MAP3K1
SCHEMBL4985738 0.90 MAP2K1 (0.77) MAP2K1IGF1RMAPK3MAPK1MAP3K1
SCHEMBL4982435 0.89 IGF1R (0.80) MAP2K1IGF1RMAPK3MAPK1MAP3K1
SCHEMBL5252117 0.89 MAP2K1 (0.78) MAP2K1IGF1RMAPK3MAPK1MAP3K1
SCHEMBL4984414 0.87 IGF1R (0.77) MAP2K1IGF1RMAPK3MAPK1MAP3K1
SCHEMBL6998163 0.86 MAP2K1 (0.79) MAP2K1IGF1RMAPK3MAPK1MAP3K1
SCHEMBL20247906 0.86 MAP2K1 (0.83) MAP2K1IGF1RMAPK3MAPK1MAP3K1
SCHEMBL4984389 0.86 IGF1R (0.75) MAP2K1IGF1RMAPK3MAPK1MAP3K1

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 19 patents. 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
US-20060247217-A1 Tricyclic protein kinase inhibitors BERGER DAN M 2006-11-02 US 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-20040110762-A1 Tricyclic protein kinase inhibitors WYETH 2004-06-10 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 MAP2K1 278/4885IGF1R 712/4885MAPK3 100/4885
US-20080171874-A1 METHOD FOR THE REGIOSELECTIVE PREPARATION OF SUBSTITUTED BENZO[G]QUINOLINE-3-CARBONITRILES AND BENZO[G]QUINAZOLINES PDXK, PKD1, GLS MAP2K1 834/4885IGF1R 3809/4885MAPK3 1078/4885
US-20060247217-A1 Tricyclic protein kinase inhibitors CDK1, CDKN1A, CDK2 MAP2K1 266/4885IGF1R 853/4885MAPK3 102/4885
US-20010051620-A1 Tricyclic protein kinase inhibitors CDK1, CHEK1, ABL1 MAP2K1 323/4885IGF1R 584/4885MAPK3 138/4885
US-20060041127-A1 Method for the regioselective preparation of substituted benzo[g]quinoline-3-carbonitriles and benzo[g]quinazolines PDXK, PKD1, GLS MAP2K1 834/4885IGF1R 3809/4885MAPK3 1078/4885
US-20020091273-A1 Method for the regioselective preparation of substituted benzo[g]quinoline3-carbonitriles and benzo[g]quinazolines PDXK, PKD1, PFKP MAP2K1 806/4885IGF1R 3845/4885MAPK3 626/4885

“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.