SCHEMBL14978583

SCHEMBL14978583

CC(C)(C#N)c1ccc(Nc2c(C=O)cnc3ccc(Cl)nc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 16/20 0.44
▸ AXL P30530 1/20 0.36
▸ PIK3CA P42336 10/20 0.36
▸ PRKDC P78527 1/20 0.34
▸ STK4 Q13043 1/20 0.34
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CG P48736 1/20 0.33

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
SCHEMBL20430476 0.86 MELK (0.40) MTOR
SCHEMBL31439307 0.86 MTOR (0.47) MTORAXLPIK3CAPRKDCSTK4
SCHEMBL15747836 0.86 MTOR (0.47) MTORAXLPIK3CAPRKDCSTK4
SCHEMBL31439343 0.83 MTOR (0.42) MTORPIK3CA
SCHEMBL15747832 0.83 MTOR (0.42) MTORPIK3CA
SCHEMBL14978610 0.83 MTOR (0.42) MTORAXLPIK3CAPRKDCSTK4
SCHEMBL16086154 0.83 MTOR (0.43) MTORAXLPIK3CA
SCHEMBL18807465 0.80 MTOR (0.52) MTOR
SCHEMBL14978580 0.80 DYRK1A (0.51) MTOR
SCHEMBL15615899 0.74 MTOR (0.46) MTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2719697-B1 PYRIDONAPHTHYRIDINE PI3K/MTOR DUAL INHIBITORS AND PREPARATION AND USE THEREOF XUANZHU PHARMA CO LTD (CN) 2018-08-01 — — EP disclosed
US-9475812-B2 Pyridonaphthyridine type dual PI3K and mTOR inhibitor and its preparation and use Xuanzhu Pharma Co., Ltd. (CN) 2016-10-25 — — US disclosed
US-9475812-B2 Pyridonaphthyridine type dual PI3K and mTOR inhibitor and its preparation and use Xuanzhu Pharma Co., Ltd. (CN) 2016-10-25 — — US disclosed
US-9475812-B2 Pyridonaphthyridine type dual PI3K and mTOR inhibitor and its preparation and use Xuanzhu Pharma Co., Ltd. (CN) 2016-10-25 — — US disclosed
EP-2781520-B1 THREE-RING PI3K AND/OR MTOR INHIBITOR XUANZHU PHARMA CO LTD (CN) 2016-05-04 — — EP disclosed
US-9284315-B2 Three-ring PI3K and/or mTOR inhibitor ZUANZHU PHARMA CO., LTD. (CN) 2016-03-15 — — US disclosed
US-9284315-B2 Three-ring PI3K and/or mTOR inhibitor ZUANZHU PHARMA CO., LTD. (CN) 2016-03-15 — — US disclosed
US-20150166539-A1 THREE-RING PI3K AND/OR MTOR INHIBITOR Xuanzhu Pharma Co., Ltd. (CN) 2015-06-18 — — US disclosed
US-20150166539-A1 THREE-RING PI3K AND/OR MTOR INHIBITOR Xuanzhu Pharma Co., Ltd. (CN) 2015-06-18 — — US disclosed
EP-2781520-A1 THREE-RING PI3K AND/OR MTOR INHIBITOR Xuanzhu Pharma Co., Ltd. (CN) 2014-09-24 — — EP disclosed
WO-2013071698-A1 THREE-RING PI3K AND/OR MTOR INHIBITOR 山东轩竹医药科技有限公司 (CN) 2013-05-23 — — 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 (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-20150166539-A1 THREE-RING PI3K AND/OR MTOR INHIBITOR MTOR, RICTOR, AKT3 MTOR 1/4885AXL 1074/4885PIK3CA 11/4885

“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.

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