SCHEMBL8396331

SCHEMBL8396331

COc1cccc(OCC(=O)N2CCC(c3nc(C4Cc5ccccc5N4)c4c(N)nccn34)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 6/20 0.47
GAA P10253 1/20 0.43
FGFR4 P22455 6/20 0.42
FGFR1 P11362 4/20 0.42
FGFR3 P22607 2/20 0.42
IGF1R P08069 5/20 0.42
RAF1 P04049 1/20 0.41
SRC P12931 1/20 0.41

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
SCHEMBL13629179 0.91 TNK2 (0.47) TNK2FGFR4FGFR1FGFR3IGF1R
SCHEMBL13629015 0.85 TNK2 (0.45) TNK2FGFR4FGFR1FGFR3RAF1
SCHEMBL8399399 0.84 RAF1 (0.45) TNK2RAF1SRC
SCHEMBL10241497 0.83 RAF1 (0.47) TNK2IGF1RRAF1SRC
SCHEMBL8400148 0.82 BTK (0.54) TNK2IGF1RRAF1SRC
SCHEMBL10240981 0.81 RAF1 (0.59) TNK2IGF1RRAF1SRC
SCHEMBL10242091 0.81 TNK2 (0.51) TNK2IGF1RRAF1SRC
SCHEMBL8410126 0.80 TNK2 (0.43) TNK2RAF1SRC
SCHEMBL8402298 0.80 BTK (0.45) TNK2FGFR4FGFR1FGFR3RAF1
SCHEMBL10240965 0.80 TNK2 (0.48) TNK2IGF1RRAF1SRC

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-8114846-B2 Combined treatment with an EGFR kinase inhibitor and an agent that sensitizes tumor cells to the effects of EGFR kinase inhibitors OSI Pharmaceuticals, LLC (US) 2012-02-14 US disclosed
US-7923555-B2 Fused bicyclic mTor inhibitors OSI PHARMACEUTICALS, INC. (US) 2011-04-12 US disclosed
US-20100166776-A1 COMBINED TREATMENT WITH AN EGFR KINASE INHIBITOR AND AN AGENT THAT SENSITIZES TUMOR CELLS TO THE EFFECTS OF EGFR KINASE INHIBITORS OSI PHARMACEUTICALS, INC. 2010-07-01 US disclosed
US-7700594-B2 mammalian Target Of Rapamycin (mTOR) kinase; for treatment of lymphoma or ovarian cancer OSI PHARMACEUTICALS, INC. (US) 2010-04-20 US disclosed
US-20090163468-A1 Fused Bicyclic mTor Inhibitors OSI PHARMACEUTICALS, INC. 2009-06-25 US disclosed
US-20070112005-A1 mammalian Target Of Rapamycin (mTOR) kinase; for treatment of lymphoma or ovarian cancer OSI PHARMACEUTICALS, INC. 2007-05-17 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-20090163468-A1 Fused Bicyclic mTor Inhibitors MTOR, RICTOR, MAPKAP1 TNK2 669/4885GAA 2157/4885FGFR4 326/4885
US-20100166776-A1 COMBINED TREATMENT WITH AN EGFR KINASE INHIBITOR AND AN AGENT THAT SENSITIZES TUMOR CELLS TO THE EFFECTS OF EGFR KINASE INHIBITORS EGFR, ERBB2, RICTOR TNK2 10/4885GAA 1689/4885FGFR4 30/4885
US-20070112005-A1 mammalian Target Of Rapamycin (mTOR) kinase; for treatment of lymphoma or ovarian cancer MTOR, MAPKAP1, RPS6KA1 TNK2 164/4885GAA 2198/4885FGFR4 1598/4885

“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.