SCHEMBL15615969

SCHEMBL15615969

COc1ccc(CNC(=O)c2cnc3ccc(Cl)nc3c2Nc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 10/20 0.58
▸ SLC2A1 P11166 2/20 0.52
▸ RECQL P46063 1/20 0.46
▸ CYP1A2 P05177 2/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ BTK Q06187 1/20 0.45
▸ APP P05067 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ AKR1C3 P42330 1/20 0.43
▸ AKR1C2 P52895 1/20 0.43

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
SCHEMBL17031570 0.89 CNR2 (0.53) CNR2SLC2A1BTKPOLB
SCHEMBL15615888 0.85 LMNA (0.53) POLB
SCHEMBL15615899 0.81 MTOR (0.46) CNR2SLC2A1BTK
SCHEMBL15615876 0.80 MPO (0.51) CYP1A2CYP2C9CYP3A4AKR1C3AKR1C2
SCHEMBL15615882 0.80 MAPT (0.52) —
SCHEMBL16804753 0.75 MTOR (0.43) APP
SCHEMBL16086165 0.74 IDH2 (0.44) APP
SCHEMBL5083313 0.73 CNR2 (1.00) CNR2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL14978436 0.73 CTSC (0.44) APPPOLB
SCHEMBL28821019 0.72 CTSC (0.45) APP

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 9 patents. 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-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
US-20150239885-A1 PI3K AND/OR MTOR INHIBITOR Xuanzhu Pharma Co., Ltd. (CN) 2015-08-27 — — 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
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
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

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-20150239885-A1 PI3K AND/OR MTOR INHIBITOR MTOR, RICTOR, RPTOR CNR2 1868/4885SLC2A1 1158/4885RECQL 1540/4885

“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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