SCHEMBL8396333

SCHEMBL8396333

C[C@H](NC(=O)C1CCC(c2nc(C3Cc4ccccc4N3)c3c(N)nccn23)CC1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 11/20 0.46
IGF1R P08069 7/20 0.43
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
MTOR P42345 1/20 0.40
PIK3CG P48736 1/20 0.40
PRKDC P78527 1/20 0.40
RICTOR Q6R327 1/20 0.40
RPTOR Q8N122 1/20 0.40
MAPKAP1 Q9BPZ7 1/20 0.40
MLST8 Q9BVC4 1/20 0.40

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
SCHEMBL12648409 0.87 IGF1R (0.54) TNK2IGF1RPIK3CAPIK3CBMTOR
SCHEMBL13629425 0.86 TNK2 (0.47) TNK2IGF1RPIK3CAPIK3CBMTOR
SCHEMBL13629016 0.84 IGF1R (0.53) TNK2IGF1R
SCHEMBL8406134 0.83 IGF1R (0.45) TNK2IGF1R
SCHEMBL12648307 0.82 IGF1R (0.47) TNK2IGF1R
SCHEMBL10242091 0.81 TNK2 (0.51) TNK2IGF1RPIK3CAPIK3CBMTOR
SCHEMBL8402327 0.80 FGFR2 (0.52) TNK2IGF1R
SCHEMBL10241497 0.80 RAF1 (0.47) TNK2IGF1R
SCHEMBL10240981 0.80 RAF1 (0.59) TNK2IGF1R
SCHEMBL8399399 0.80 RAF1 (0.45) TNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7923555-B2 Fused bicyclic mTor inhibitors OSI PHARMACEUTICALS, INC. (US) 2011-04-12 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 (2 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 669/4885IGF1R 1033/4885PIK3CA 25/4885
US-20070112005-A1 mammalian Target Of Rapamycin (mTOR) kinase; for treatment of lymphoma or ovarian cancer MTOR, MAPKAP1, RPS6KA1 TNK2 164/4885IGF1R 546/4885PIK3CA 90/4885

“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.