SCHEMBL16804753

SCHEMBL16804753

OCc1cnc2ccc(Cl)nc2c1Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 2/20 0.43
▸ CTSC P53634 5/20 0.43
▸ IDH2 P48735 6/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ABCG2 Q9UNQ0 2/20 0.41
▸ EGFR P00533 1/20 0.41
▸ TRPV1 Q8NER1 1/20 0.40
▸ RAPGEF4 Q8WZA2 1/20 0.40
▸ APP P05067 1/20 0.40
▸ KIF11 P52732 1/20 0.40

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
SCHEMBL28821019 0.89 CTSC (0.45) MTORCTSCIDH2TP53MAPT
SCHEMBL16086165 0.88 IDH2 (0.44) MTORCTSCIDH2TP53MAPT
SCHEMBL14978436 0.83 CTSC (0.44) MTORCTSCIDH2TP53MAPT
SCHEMBL27930761 0.83 MTOR (0.39) MTORCTSCIDH2TP53MAPT
SCHEMBL15615876 0.82 MPO (0.51) MTORCTSCTP53MAPTSMN1; SMN2
SCHEMBL15615888 0.80 LMNA (0.53) MTORIDH2TP53MAPT
SCHEMBL15615882 0.79 MAPT (0.52) TP53MAPTSMN1; SMN2
SCHEMBL15615969 0.75 CNR2 (0.58) APP
SCHEMBL16086154 0.74 MTOR (0.43) MTOR
SCHEMBL2163621 0.71 PIM1 (0.50) CTSCIDH2TP53MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 1/4885CTSC 3439/4885IDH2 3642/4885

“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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