Sugi Predict

Sugi Predict / Compounds / SCHEMBL952759

SCHEMBL952759

SCHEMBL952759

Cc1nn2ccccc2c1C(=O)CC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ PDE5A O76074 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ PDE4A P27815 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ PDE4C Q08493 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ PDE3B Q13370 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
SCHEMBL953579 0.81 MIF (0.49) MIFALDH1A1MEN1PDE5ACYP1A2
SCHEMBL7504827 0.78 MIF (0.51) MIFALDH1A1KDM4EMEN1PDE5A
SCHEMBL3064344 0.78 MIF (0.51) MIFALDH1A1KDM4EMEN1PDE5A
SCHEMBL17051119 0.75 BRD4 (0.43) MEN1KMT2ABRD4
SCHEMBL5848990 0.73 ALDH1A1 (0.51) MIFALDH1A1KDM4EMEN1PDE5A
SCHEMBL951965 0.73 MEN1 (0.51) MIFALDH1A1MEN1PDE5ACYP1A2
SCHEMBL956204 0.73 EGFR (0.55) MIFALDH1A1KDM4EMEN1CYP1A2
SCHEMBL955510 0.72 MIF (0.50) MIFALDH1A1KDM4EMEN1PDE5A
SCHEMBL31324819 0.71 EGFR (0.46) ALDH1A1KDM4EMEN1CYP1A2CYP3A4
SCHEMBL7504841 0.71 HPGD (0.39) MIFALDH1A1KDM4EMEN1PDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 — — US disclosed
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 — — US disclosed
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 — — US disclosed
EP-2391619-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2011-12-07 — — EP disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 — — US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 — — US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 — — US disclosed
WO-2010090716-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-12 — — 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-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 MIF 338/4885ALDH1A1 728/4885KDM4E 2304/4885

“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.