SCHEMBL3227908

SCHEMBL3227908

COc1cc(Nc2c(C#N)cnc3cc(-c4sccc4CN4CCC(O)CC4)ccc23)cc(OC)c1OC

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SRC P12931 20/20 0.64
ABL1 P00519 1/20 0.52
ABL2 P42684 1/20 0.52
GAK O14976 1/20 0.51
EGFR P00533 1/20 0.51
FYN P06241 2/20 0.48

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
SCHEMBL3231311 0.88 SRC (0.72) SRCABL1ABL2GAKEGFR
SCHEMBL5254459 0.86 SRC (0.62) SRCABL1ABL2GAKEGFR
SCHEMBL3219495 0.86 SRC (0.67) SRCABL1ABL2GAKEGFR
SCHEMBL3233501 0.86 SRC (0.83) SRCABL1ABL2GAKEGFR
SCHEMBL3213103 0.79 SRC (0.85) SRCABL1ABL2EGFRFYN
SCHEMBL3229351 0.79 SRC (0.75) SRCABL1ABL2FYN
SCHEMBL3225339 0.78 SRC (0.73) SRCGAKEGFRFYN
SCHEMBL3226355 0.77 SRC (0.79) SRCABL1ABL2GAKEGFR
SCHEMBL3225510 0.77 SRC (0.75) SRCGAKEGFRFYN
SCHEMBL3224430 0.77 SRC (0.75) SRCABL1ABL2FYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-6521618-B2 Antineoplastic agents, agents for treatment of osteoporosis and polycystic kidney disease WYETH 2003-02-18 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 (1 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-20100069340-A1 PHARMACEUTICAL COMPOSITIONS OF AN SRC KINASE INHIBITOR AND AN AROMATASE INHIBITOR CYP19A1, SRC, CYP17A1 SRC 2/4885ABL1 39/4885ABL2 121/4885

“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.