SCHEMBL3226419

SCHEMBL3226419

Cn1ccnc1Sc1ccc(Nc2c(C#N)cnc3cc(-c4ccc(CN5CCOCC5)o4)ccc23)cc1Cl

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 18/20 0.70
IGF1R P08069 5/20 0.67
MAPK3 P27361 1/20 0.67
MAPK1 P28482 1/20 0.67
MAP3K1 Q13233 1/20 0.67
IKBKB O14920 1/20 0.60
EGFR P00533 1/20 0.60
LYN P07948 1/20 0.60
SRC P12931 1/20 0.60
BRAF P15056 1/20 0.60
RPS6KB1 P23443 1/20 0.60
KDR P35968 1/20 0.60
PRKCQ Q04759 1/20 0.60
PDK1 Q15118 1/20 0.60

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
SCHEMBL3224488 0.94 MAP2K1 (0.70) MAP2K1IGF1RIKBKBEGFRLYN
SCHEMBL3261577 0.94 MAP2K1 (0.69) MAP2K1IGF1RMAPK3MAPK1MAP3K1
SCHEMBL3228465 0.93 MAP2K1 (0.69) MAP2K1IGF1RMAPK3MAPK1MAP3K1
SCHEMBL3215244 0.93 MAP2K1 (0.63) MAP2K1IGF1RMAPK3MAPK1MAP3K1
SCHEMBL3231093 0.92 MAP2K1 (0.60) MAP2K1IGF1RMAPK3MAPK1MAP3K1
SCHEMBL3221496 0.91 MAP2K1 (0.66) MAP2K1IGF1RMAPK3MAPK1MAP3K1
SCHEMBL3219381 0.91 MAP2K1 (0.74) MAP2K1IGF1RMAPK3MAPK1MAP3K1
SCHEMBL3226963 0.90 MAP2K1 (0.61) MAP2K1IGF1RMAPK3MAPK1MAP3K1
SCHEMBL3228497 0.89 MAP2K1 (0.72) MAP2K1IGF1RMAPK3MAPK1MAP3K1
SCHEMBL3221545 0.89 MAP2K1 (0.71) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 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
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 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 1028/4885MAPK3 44/4885
US-20100069340-A1 PHARMACEUTICAL COMPOSITIONS OF AN SRC KINASE INHIBITOR AND AN AROMATASE INHIBITOR CYP19A1, SRC, CYP17A1 MAP2K1 401/4885IGF1R 591/4885MAPK3 317/4885
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 1028/4885MAPK3 44/4885

“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.