SCHEMBL14978436

SCHEMBL14978436

O=Cc1cnc2ccc(Cl)nc2c1Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 5/20 0.44
▸ MTOR P42345 3/20 0.44
▸ TP53 P04637 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ IDH2 P48735 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ TRPV1 Q8NER1 1/20 0.41
▸ RAPGEF4 Q8WZA2 1/20 0.41
▸ KIF11 P52732 1/20 0.41
▸ APP P05067 1/20 0.41
▸ AURKA O14965 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ ERBB2 P04626 1/20 0.41
▸ P2RX3 P56373 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
SCHEMBL15615876 0.84 MPO (0.51) CTSCMTORTP53MAPTSMN1; SMN2
SCHEMBL28821019 0.83 CTSC (0.45) CTSCMTORTP53MAPTSMN1; SMN2
SCHEMBL16804753 0.83 MTOR (0.43) CTSCMTORTP53MAPTSMN1; SMN2
SCHEMBL27930761 0.82 MTOR (0.39) CTSCMTORTP53MAPTSMN1; SMN2
SCHEMBL15615888 0.81 LMNA (0.53) MTORTP53MAPTIDH2POLB
SCHEMBL16086165 0.81 IDH2 (0.44) CTSCMTORTP53MAPTSMN1; SMN2
SCHEMBL15615882 0.78 MAPT (0.52) TP53MAPTSMN1; SMN2AURKAALDH1A1
SCHEMBL20430476 0.78 MELK (0.40) MTORTRPV1EGFRERBB2
SCHEMBL15615969 0.73 CNR2 (0.58) POLBAPP
SCHEMBL14978583 0.72 MTOR (0.44) 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 16 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
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-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
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
EP-2719697-A1 PYRIDONAPHTHYRIDINE PI3K/MTOR DUAL INHIBITORS AND PREPARATION AND USE THEREOF Xuanzhu Pharma Co., Ltd. (CN) 2014-04-16 — — EP disclosed
CN-103224496-A Tricyclic PI3K and/or mTOR inhibitors KBP BIOSCIENCES CO LTD 2013-07-31 — — CN 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 CTSC 3439/4885MTOR 1/4885TP53 530/4885

“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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