SCHEMBL3226017

SCHEMBL3226017

Cn1ccnc1Sc1ccc(Nc2c(C#N)cnc3cc(-c4cccc(CN5CCC(N6CCCC6)CC5)c4)ccc23)cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 18/20 0.62
IGF1R P08069 5/20 0.58
IKBKB O14920 1/20 0.57
EGFR P00533 1/20 0.57
LYN P07948 1/20 0.57
SRC P12931 1/20 0.57
BRAF P15056 1/20 0.57
RPS6KB1 P23443 1/20 0.57
KDR P35968 1/20 0.57
PRKCQ Q04759 1/20 0.57
PDK1 Q15118 1/20 0.57
MAPK3 P27361 1/20 0.54
MAPK1 P28482 1/20 0.54
MAP3K1 Q13233 1/20 0.54

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
SCHEMBL3221695 0.95 MAP2K1 (0.64) MAP2K1IGF1RIKBKBEGFRLYN
SCHEMBL3234806 0.93 MAP2K1 (0.70) MAP2K1IGF1RIKBKBEGFRLYN
SCHEMBL3224643 0.92 MAP2K1 (0.60) MAP2K1IGF1RIKBKBEGFRLYN
SCHEMBL3227776 0.91 MAP2K1 (0.62) MAP2K1IGF1RIKBKBEGFRLYN
SCHEMBL3227766 0.90 MAP2K1 (0.71) MAP2K1IGF1RIKBKBEGFRLYN
SCHEMBL3222560 0.90 MAP2K1 (0.70) MAP2K1IGF1RIKBKBEGFRLYN
SCHEMBL3229563 0.89 MAP2K1 (0.70) MAP2K1IGF1RIKBKBEGFRLYN
SCHEMBL3227754 0.89 MAP2K1 (0.64) MAP2K1IGF1RIKBKBEGFRLYN
SCHEMBL3226163 0.89 SRC (0.50) MAP2K1IGF1RIKBKBEGFRLYN
SCHEMBL3226963 0.88 MAP2K1 (0.61) MAP2K1IGF1RIKBKBEGFRLYN

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
EP-1268431-B1 3-CYANOQUINOLINES,3-CYANO-1,6-NAPHTHYRIDINES, AND 3-CYANO-1,7-NAPHTHYRIDINES AS PROTEIN KINASE INHIBITORS WYETH CORP (US) 2007-08-29 EP claimed
US-20040176602-A1 3-Cyanoquinolines,3-cyano-1,6-naphthyridines, and 3-cyano-1,7-naphthyridines as protein kinase inhibitors WYETH 2004-09-09 US claimed
EP-1268431-A1 3-CYANOQUINOLINES,3-CYANO-1,6-NAPHTHYRIDINES, AND 3-CYANO-1,7-NAPHTHYRIDINES AS PROTEIN KINASE INHIBITORS Wyeth (US) 2003-01-02 EP claimed
WO-2001072711-A1 3-CYANOQUINOLINES,3-CYANO-1,6-NAPHTHYRIDINES, AND 3-CYANO-1,7-NAPHTHYRIDINES AS PROTEIN KINASE INHIBITORS WYETH (US) 2001-10-04 WO claimed
WO-2010030835-A2 PHARMACEUTICAL COMPOSITIONS OF AN SRC KINASE INHIBITOR AND AN AROMATASE INHIBITOR WYETH LLC (US) 2010-03-18 WO disclosed
US-20100069340-A1 PHARMACEUTICAL COMPOSITIONS OF AN SRC KINASE INHIBITOR AND AN AROMATASE INHIBITOR WYETH (US) 2010-03-18 US disclosed
EP-1268431-B1 3-CYANOQUINOLINES,3-CYANO-1,6-NAPHTHYRIDINES, AND 3-CYANO-1,7-NAPHTHYRIDINES AS PROTEIN KINASE INHIBITORS WYETH CORP (US) 2007-08-29 EP disclosed
US-20040176602-A1 3-Cyanoquinolines,3-cyano-1,6-naphthyridines, and 3-cyano-1,7-naphthyridines as protein kinase inhibitors WYETH 2004-09-09 US disclosed
US-6689772-B1 ANTINEOPLASTIC AGENTS; OSTEOPOROSIS; POLYCYSTIC KIDNEY DISEASE; ANTIVIRAL AGENTS WYETH 2004-02-10 US disclosed
US-6521618-B2 Antineoplastic agents, agents for treatment of osteoporosis and polycystic kidney disease WYETH 2003-02-18 US disclosed
US-20020026052-A1 3-cyanoquinolines, 3-cyano-1,6-naphthyridines, and 3-cyano-1,7-naphthyridines as protein kinase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 2002-02-28 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-20040176602-A1 3-Cyanoquinolines,3-cyano-1,6-naphthyridines, and 3-cyano-1,7-naphthyridines as protein kinase inhibitors PKD1, PKD2, CSNK1A1 MAP2K1 568/4885IGF1R 1028/4885IKBKB 557/4885
US-20100069340-A1 PHARMACEUTICAL COMPOSITIONS OF AN SRC KINASE INHIBITOR AND AN AROMATASE INHIBITOR CYP19A1, SRC, CYP17A1 MAP2K1 401/4885IGF1R 591/4885IKBKB 477/4885
US-20020026052-A1 3-cyanoquinolines, 3-cyano-1,6-naphthyridines, and 3-cyano-1,7-naphthyridines as protein kinase inhibitors PKD1, PKD2, CSNK1A1 MAP2K1 568/4885IGF1R 1028/4885IKBKB 557/4885

“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.