Sugi Predict

Sugi Predict / Compounds / SCHEMBL6937533

SCHEMBL6937533

SCHEMBL6937533

CC(=O)N1CCN([C@H]2C[C@@H](c3nc(I)c4c(N)nccn43)C2)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TNK2 Q07912 6/20 0.47
▸ IGF1R P08069 11/20 0.44
▸ CYP3A4 P08684 5/20 0.44
▸ MAPK3 P27361 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ MAPK6 Q16659 1/20 0.44
▸ RAF1 P04049 1/20 0.39
▸ SRC P12931 1/20 0.39
▸ RET P07949 2/20 0.39
▸ KIF5B P33176 2/20 0.39
▸ KDR P35968 1/20 0.39

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
SCHEMBL400538 1.00 TNK2 (0.47) TNK2IGF1RCYP3A4MAPK3MAPK1
SCHEMBL2574212 0.92 TNK2 (0.43) TNK2IGF1RCYP3A4MAPK3MAPK1
SCHEMBL12296405 0.91 TNK2 (0.48) TNK2IGF1RCYP3A4MAPK3MAPK1
SCHEMBL19264285 0.89 TNK2 (0.48) TNK2IGF1RCYP3A4MAPK3MAPK1
SCHEMBL6938221 0.88 TNK2 (0.37) TNK2IGF1RCYP3A4MAPK3MAPK1
SCHEMBL402204 0.88 TNK2 (0.37) TNK2IGF1RCYP3A4MAPK3MAPK1
SCHEMBL398156 0.86 TNK2 (0.61) TNK2IGF1RCYP3A4MAPK3MAPK1
SCHEMBL10189260 0.86 TNK2 (0.61) TNK2IGF1RCYP3A4MAPK3MAPK1
SCHEMBL2967554 0.86 TNK2 (0.61) TNK2IGF1RCYP3A4MAPK3MAPK1
SCHEMBL27678730 0.86 TNK2 (0.46) TNK2IGF1RCYP3A4MAPK3MAPK1

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168968-B1 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI PHARMACEUTICALS LLC (US) 2017-08-23 — — EP disclosed
US-8796455-B2 Fused bicyclic mTOR inhibitors OSI Pharmaceuticals, LLC (US) 2014-08-05 — — US disclosed
US-8796455-B2 Fused bicyclic mTOR inhibitors OSI Pharmaceuticals, LLC (US) 2014-08-05 — — US disclosed
US-8735405-B2 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI Pharmaceuticals, LLC (US) 2014-05-27 — — US disclosed
US-8735405-B2 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI Pharmaceuticals, LLC (US) 2014-05-27 — — US disclosed
EP-2385053-B1 Intermediates for the preparation of fused bicyclic mTOR inhibitors OSI PHARM INC (US) 2013-10-02 — — EP disclosed
US-20130190496-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors OSI Pharmaceuticals, LLC 2013-07-25 — — US disclosed
US-20130190496-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors OSI Pharmaceuticals, LLC 2013-07-25 — — US disclosed
US-20130165651-A1 FUSED BICYCLIC mTOR INHIBITORS OSI Pharmaceuticals, LLC 2013-06-27 — — US disclosed
US-20130165651-A1 FUSED BICYCLIC mTOR INHIBITORS OSI Pharmaceuticals, LLC 2013-06-27 — — US disclosed
US-20090274698-A1 Combination anti-cancer therapy OSI PHARMACEUTICALS, INC. 2009-11-05 — — US disclosed
US-20090274698-A1 Combination anti-cancer therapy OSI PHARMACEUTICALS, INC. 2009-11-05 — — US disclosed
US-20090163468-A1 Fused Bicyclic mTor Inhibitors OSI PHARMACEUTICALS, INC. 2009-06-25 — — US disclosed
US-20090163468-A1 Fused Bicyclic mTor Inhibitors OSI PHARMACEUTICALS, INC. 2009-06-25 — — US disclosed
US-7534797-B2 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC. (US) 2009-05-19 — — US disclosed
US-7534797-B2 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC. (US) 2009-05-19 — — US disclosed
US-20070280928-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. 2007-12-06 — — US disclosed
US-20070280928-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. 2007-12-06 — — 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
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 (6 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-20130190496-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors IGF1R, MAP2K7, BRCA1 TNK2 405/4885IGF1R 1/4885CYP3A4 1815/4885
US-20090163468-A1 Fused Bicyclic mTor Inhibitors MTOR, RICTOR, MAPKAP1 TNK2 669/4885IGF1R 1033/4885CYP3A4 3203/4885
US-20130165651-A1 FUSED BICYCLIC mTOR INHIBITORS MTOR, RICTOR, MAPKAP1 TNK2 669/4885IGF1R 1033/4885CYP3A4 3203/4885
US-20090274698-A1 Combination anti-cancer therapy MTOR, RICTOR, AKT1 TNK2 144/4885IGF1R 67/4885CYP3A4 4833/4885
US-20070280928-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 10/4885IGF1R 17/4885CYP3A4 3660/4885
US-20070112005-A1 mammalian Target Of Rapamycin (mTOR) kinase; for treatment of lymphoma or ovarian cancer MTOR, MAPKAP1, RPS6KA1 TNK2 164/4885IGF1R 546/4885CYP3A4 4453/4885

“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.