SCHEMBL14978580

SCHEMBL14978580

CCOC(=O)c1cnc2ccc(Cl)nc2c1Nc1ccc(C(C)(C)C#N)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 1/20 0.51
▸ MAPT P10636 7/20 0.49
▸ MTOR P42345 6/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ GAA P10253 2/20 0.44
▸ PAX8 Q06710 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ HTT P42858 1/20 0.44

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
SCHEMBL18807465 0.84 MTOR (0.52) DYRK1AMTOR
SCHEMBL12376167 0.83 MTOR (0.58) DYRK1AMAPTMTORSMN1; SMN2GAA
SCHEMBL28629509 0.80 AURKB (0.60) MAPTMTORSMN1; SMN2GAAPAX8
SCHEMBL15615899 0.80 MTOR (0.46) MAPTMTORSMN1; SMN2
SCHEMBL16086154 0.80 MTOR (0.43) DYRK1AMTOR
SCHEMBL14978583 0.80 MTOR (0.44) MTOR
SCHEMBL31439307 0.78 MTOR (0.47) MTOR
SCHEMBL15747836 0.78 MTOR (0.47) MTOR
SCHEMBL17031568 0.78 AURKB (0.57) DYRK1AMAPTSMN1; SMN2GAATP53
SCHEMBL15615882 0.78 MAPT (0.52) DYRK1AMAPTSMN1; SMN2TP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2896622-B1 PI3K AND/OR MTOR INHIBITOR XUANZHU PHARMA CO LTD (CN) 2017-05-03 — — EP disclosed
EP-2896622-B1 PI3K AND/OR MTOR INHIBITOR XUANZHU PHARMA CO LTD (CN) 2017-05-03 — — 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-9365572-B2 PI3K and/or mTOR inhibitor Xuanzhu Pharma Co., Ltd. (CN) 2016-06-14 — — US disclosed
US-9365572-B2 PI3K and/or mTOR inhibitor Xuanzhu Pharma Co., Ltd. (CN) 2016-06-14 — — 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-9284315-B2 Three-ring PI3K and/or mTOR inhibitor ZUANZHU PHARMA CO., LTD. (CN) 2016-03-15 — — US disclosed
US-20150239885-A1 PI3K AND/OR MTOR INHIBITOR Xuanzhu Pharma Co., Ltd. (CN) 2015-08-27 — — US disclosed
EP-2896622-A1 PI3K AND/OR MTOR INHIBITOR Xuanzhu Pharma Co., Ltd. (CN) 2015-07-22 — — EP disclosed
EP-2896622-A1 PI3K AND/OR MTOR INHIBITOR Xuanzhu Pharma Co., Ltd. (CN) 2015-07-22 — — EP 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
US-20150166539-A1 THREE-RING PI3K AND/OR MTOR INHIBITOR Xuanzhu Pharma Co., Ltd. (CN) 2015-06-18 — — US disclosed
WO-2014154026-A1 PI3K AND/OR mTOR INHIBITOR PRODRUG 山东轩竹医药科技有限公司 (CN) 2014-10-02 — — WO disclosed
EP-2781520-A1 THREE-RING PI3K AND/OR MTOR INHIBITOR Xuanzhu Pharma Co., Ltd. (CN) 2014-09-24 — — EP disclosed
WO-2014040373-A1 PI3K AND/OR MTOR INHIBITOR 山东轩竹医药科技有限公司 (CN) 2014-03-20 — — WO 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 (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-20150166539-A1 THREE-RING PI3K AND/OR MTOR INHIBITOR MTOR, RICTOR, AKT3 DYRK1A 995/4885MAPT 2952/4885MTOR 1/4885
US-20150239885-A1 PI3K AND/OR MTOR INHIBITOR MTOR, RICTOR, RPTOR DYRK1A 826/4885MAPT 2500/4885MTOR 1/4885

“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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