SCHEMBL15615876

SCHEMBL15615876

O=C(O)c1cnc2ccc(Cl)nc2c1Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ GMNN O75496 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ TTR P02766 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ UGT1A1 P22309 1/20 0.51
▸ PTGS1 P23219 1/20 0.51
▸ PTGS2 P35354 1/20 0.51
▸ PMP22 Q01453 1/20 0.51
▸ DHODH Q02127 1/20 0.51
▸ TEAD4 Q15561 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ GPR35 Q9HC97 1/20 0.51

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
SCHEMBL15615888 0.89 LMNA (0.53) ALDH1A1LMNAMTORSYKTP53
SCHEMBL15615882 0.86 MAPT (0.52) ALDH1A1PKMAURKATP53MAPT
SCHEMBL14978436 0.84 CTSC (0.44) ALDH1A1LMNAMTORAURKAEGFR
SCHEMBL17031567 0.84 EGFR (0.49) MEN1KMT2AALDH1A1NFKB1AURKA
SCHEMBL16804753 0.82 MTOR (0.43) MTOREGFRCTSCTP53MAPT
SCHEMBL15615969 0.80 CNR2 (0.58) CYP1A2CYP3A4CYP2C9AKR1C3AKR1C2
SCHEMBL28821019 0.80 CTSC (0.45) MTOREGFRCTSCTP53MAPT
SCHEMBL16086165 0.78 IDH2 (0.44) MTOREGFRCTSCTP53MAPT
SCHEMBL27930761 0.76 MTOR (0.39) MEN1KMT2AALDH1A1LMNAMTOR
SCHEMBL11541557 0.74 MPO (0.63) MPOMEN1KMT2AGMNNALDH1A1

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 MPO 4003/4885MEN1 857/4885KMT2A 2585/4885

“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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