SCHEMBL6842791

SCHEMBL6842791

Cc1nc2ccc(CN3CC[C@H](N)C3)cn2c1-c1nc(-c2ccccc2)c(-c2nnc[nH]2)s1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.36
AKT1 P31749 4/20 0.33
AKT2 P31751 4/20 0.33
ACHE P22303 2/20 0.33
PRKACA P17612 3/20 0.32
PRKACG P22612 3/20 0.32
PRKACB P22694 3/20 0.32
DRD2 P14416 3/20 0.31
DRD4 P21917 3/20 0.31
DRD3 P35462 3/20 0.31
PRCP P42785 1/20 0.30
F2RL1 P55085 1/20 0.30

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
SCHEMBL16938006 0.88 AKT1 (0.37) SLC2A1AKT1AKT2ACHEPRKACA
SCHEMBL6842921 0.87 SLC2A1 (0.39) SLC2A1AKT1AKT2ACHE
SCHEMBL952490 0.82 AKT2 (0.33) AKT1AKT2
SCHEMBL952245 0.81 AKT2 (0.33) AKT1AKT2
SCHEMBL6845102 0.79 AKT1 (0.38) AKT1AKT2
SCHEMBL6842781 0.79 AKT1 (0.38) AKT1AKT2
SCHEMBL6842788 0.78 AKT1 (0.32) AKT1AKT2
SCHEMBL6845093 0.78 AKT1 (0.38) AKT1AKT2
SCHEMBL952215 0.76 ALDH1A1 (0.41) AKT1AKT2
SCHEMBL955207 0.76 AKT1 (0.31) AKT1AKT2

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
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-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003807-A1 Thiazole derivatives 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 (2 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-20110003807-A1 Thiazole derivatives MTOR, RICTOR, AKT2 SLC2A1 307/4885AKT1 5/4885AKT2 3/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 SLC2A1 1387/4885AKT1 4/4885AKT2 7/4885

“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.