SCHEMBL2203276

SCHEMBL2203276

COc1cc2ncc(C#N)c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c2cc1N

nearest known ligand 0.88

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 8/20 0.88
MAP2K1 Q02750 14/20 0.78
MAPK3 P27361 1/20 0.71
MAPK1 P28482 1/20 0.71
MAP3K1 Q13233 1/20 0.71
EGFR P00533 1/20 0.66
ERBB2 P04626 1/20 0.66

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
SCHEMBL4443456 0.94 IGF1R (1.00) IGF1RMAP2K1MAPK3MAPK1MAP3K1
SCHEMBL2971320 0.89 IGF1R (0.88) IGF1RMAP2K1MAPK3MAPK1MAP3K1
SCHEMBL6183526 0.88 IGF1R (0.89) IGF1RMAP2K1MAPK3MAPK1MAP3K1
SCHEMBL2961308 0.88 IGF1R (0.89) IGF1RMAP2K1MAPK3MAPK1MAP3K1
SCHEMBL2972917 0.88 IGF1R (0.89) IGF1RMAP2K1MAPK3MAPK1MAP3K1
SCHEMBL4454660 0.88 MAP2K1 (1.00) IGF1RMAP2K1MAPK3MAPK1MAP3K1
SCHEMBL2204809 0.87 IGF1R (0.81) IGF1RMAP2K1MAPK3MAPK1MAP3K1
SCHEMBL4985455 0.86 IGF1R (0.80) IGF1RMAP2K1MAPK3MAPK1MAP3K1
SCHEMBL4453743 0.86 IGF1R (0.75) IGF1RMAP2K1MAPK3MAPK1MAP3K1
SCHEMBL7002118 0.86 IGF1R (0.74) IGF1RMAP2K1MAPK3MAPK1MAP3K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1117659-B1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS WYETH CORP (US) 2003-12-03 EP claimed
US-6288082-B1 COMPOUNDS SUCH AS 6,7-DIETHOXY-4-(INDAN-5-YLAMINO) -QUINOLINE-3-CARBONITRILE USED AS ANTINEOPLASTIC AGENTS AND IN THE TREATMENT OF POLYCYCSTIC KIDNEY DISEASE AMERICAN CYANAMID COMPANY 2001-09-11 US claimed
EP-1117659-A1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS American Cyanamid Company (US) 2001-07-25 EP claimed
WO-2000018761-A1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-04-06 WO claimed
US-7982043-B2 Protein tyrosine kinase enzyme inhibitors WYETH LLC (US) 2011-07-19 US disclosed
US-20090325877-A1 Combination Product of Receptor Tyrosine Kinase Inhibitor and Fatty Acid Synthase Inhibitor for Treating Cancer WYETH (US) 2009-12-31 US disclosed
WO-2009151910-A2 COMBINATION PRODUCT OF RECEPTOR TYROSINE KINASE INHIBITOR AND FATTY ACID SYNTHASE INHIBITOR FOR TREATING CANCER WYETH (US) 2009-12-17 WO disclosed
US-20080319011-A1 PROTEIN TYROSINE KINASE ENZYME INHIBITORS WYETH (US) 2008-12-25 US disclosed
US-7399865-B2 such as (E)-N-{4-[4-(benzyloxy)-3-chloroanilino]-3-cyano-7-ethoxy-6-quinolinyl}-4-(dimethylamino)-2-butenamide used as antineoplastic agents, or inhibitors of the HER-2 gene or proteins and epidermal growth factor receptor enzymes WYETH (US) 2008-07-15 US disclosed
EP-1670473-A1 SUBSTITUTED QUINOLINES AS PROTEIN TYROSINE KINASE ENZYME INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2006-06-21 EP disclosed
WO-2005034955-A1 SUBSTITUTED QUINOLINES AS PROTEIN TYROSINE KINASE ENZYME INHIBITORS WYETH (US) 2005-04-21 WO disclosed
WO-2005028443-A2 PROTEIN TYROSINE KINASE ENZYME INHIBITORS WYETH A CORPORATION OF THE STATE OF DELAWARE, USA (US) 2005-03-31 WO disclosed
US-20050059678-A1 Protein tyrosine kinase enzyme inhibitors WYETH (US) 2005-03-17 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-20080319011-A1 PROTEIN TYROSINE KINASE ENZYME INHIBITORS ABL1, ERBB2, RET IGF1R 60/4885MAP2K1 602/4885MAPK3 128/4885
US-20050059678-A1 Protein tyrosine kinase enzyme inhibitors ABL1, ERBB2, RET IGF1R 60/4885MAP2K1 602/4885MAPK3 128/4885
US-20090325877-A1 Combination Product of Receptor Tyrosine Kinase Inhibitor and Fatty Acid Synthase Inhibitor for Treating Cancer FASN, FRS2, FGFR1 IGF1R 183/4885MAP2K1 840/4885MAPK3 951/4885

“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.