SCHEMBL954268

SCHEMBL954268

Cc1nc2ccc(CN3CCNCC3)cn2c1-c1nc(-c2ccccc2)c(-c2nc[nH]n2)s1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
KDM1A O60341 1/20 0.33
DYRK2 Q92630 1/20 0.32
AKT1 P31749 3/20 0.32
AKT2 P31751 3/20 0.32
CDC7 O00311 1/20 0.32
DBF4 Q9UBU7 1/20 0.32
ACHE P22303 1/20 0.31
ACP1 P24666 1/20 0.31
TACR3 P29371 1/20 0.31
KCNH2 Q12809 1/20 0.31
HIF1A Q16665 1/20 0.31
CXCR4 P61073 1/20 0.31

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
SCHEMBL953332 0.88 KDR (0.39) SLC2A1AKT1AKT2TACR3
SCHEMBL6842921 0.85 SLC2A1 (0.39) SLC2A1SMN1; SMN2SIGMAR1AKT1AKT2
SCHEMBL954430 0.83 SLC2A1 (0.36) SLC2A1AKT1AKT2CDC7DBF4
SCHEMBL16938020 0.82 SLC2A1 (0.39) SLC2A1SMN1; SMN2SIGMAR1AKT1AKT2
SCHEMBL956034 0.82 GAA (0.38) SMN1; SMN2AKT1AKT2CDC7DBF4
SCHEMBL956657 0.79 AKT1 (0.40) SMN1; SMN2AKT1AKT2CDC7DBF4
SCHEMBL954582 0.78 AKT1 (0.45) AKT1AKT2CDC7DBF4
SCHEMBL954429 0.78 AKT1 (0.40) SLC2A1AKT1AKT2CDC7DBF4
SCHEMBL6842814 0.76 DYRK2 (0.33) SIGMAR1KDM1ADYRK2CDC7DBF4
SCHEMBL954401 0.76 L3MBTL1 (0.39)

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 12 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
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
EP-2391619-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2011-12-07 EP 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
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
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 307/4885SMN1; SMN2 3758/4885SIGMAR1 1898/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 SLC2A1 1387/4885SMN1; SMN2 3959/4885SIGMAR1 799/4885

“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.