SCHEMBL3228976

SCHEMBL3228976

COc1cc(Nc2c(C#N)cnc3cc(-c4cnc(CN5CCN(C)CC5)n4C)c(OC)cc23)c(Cl)cc1Cl

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 20/20 0.72
ABL1 P00519 5/20 0.72
EGFR P00533 4/20 0.72
LCK P06239 2/20 0.72
FYN P06241 2/20 0.68
BCR P11274 2/20 0.68
KCNH2 Q12809 2/20 0.68
ABL2 P42684 2/20 0.68
STK25 O00506 1/20 0.68
CIT O14578 1/20 0.68
RIOK3 O14730 1/20 0.68
MAP2K7 O14733 1/20 0.68
CHEK1 O14757 1/20 0.68
CASK O14936 1/20 0.68
GAK O14976 1/20 0.68
EPHB6 O15197 1/20 0.68
MAP3K13 O43283 1/20 0.68
MAP3K7 O43318 1/20 0.68
RIPK2 O43353 1/20 0.68
NUAK1 O60285 1/20 0.68

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
SCHEMBL3219516 0.93 SRC (0.75) SRCABL1EGFRFYNBCR
SCHEMBL3231931 0.89 SRC (0.79) SRCABL1EGFRFYNABL2
SCHEMBL4901160 0.84 SRC (0.76) SRCABL1EGFRABL2MAP2K1
SCHEMBL31061197 0.84 SRC (1.00) SRCABL1EGFRLCKFYN
SCHEMBL3992463 0.84 SRC (1.00) SRCABL1EGFRLCKFYN
SCHEMBL677073 0.82 SRC (0.92) SRCABL1EGFRLCKFYN
SCHEMBL30453317 0.82 SRC (0.92) SRCABL1EGFRLCKFYN
SCHEMBL3222322 0.81 SRC (0.78) SRCEGFRFYNMAP2K1
SCHEMBL6183794 0.81 SRC (0.79) SRCABL1EGFRLCKFYN
SCHEMBL3995789 0.81 SRC (0.94) SRCABL1EGFRLCKFYN

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 9 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
WO-2010030835-A2 PHARMACEUTICAL COMPOSITIONS OF AN SRC KINASE INHIBITOR AND AN AROMATASE INHIBITOR WYETH LLC (US) 2010-03-18 WO 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
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 SRC 237/4885ABL1 126/4885EGFR 527/4885
US-20100069340-A1 PHARMACEUTICAL COMPOSITIONS OF AN SRC KINASE INHIBITOR AND AN AROMATASE INHIBITOR CYP19A1, SRC, CYP17A1 SRC 2/4885ABL1 39/4885EGFR 90/4885
US-20020026052-A1 3-cyanoquinolines, 3-cyano-1,6-naphthyridines, and 3-cyano-1,7-naphthyridines as protein kinase inhibitors PKD1, PKD2, CSNK1A1 SRC 237/4885ABL1 126/4885EGFR 527/4885

“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.