SCHEMBL953631

SCHEMBL953631

CC(=O)Nc1cc(-c2nc(-c3ccccc3)c(-c3ncn(C4CCCCO4)n3)s2)ccn1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.40
PIP5K1C O60331 2/20 0.39
PIK3CA P42336 2/20 0.39
PIK3CD O00329 1/20 0.39
PIP5K1B O14986 1/20 0.39
PDGFRB P09619 1/20 0.39
PIK3CB P42338 1/20 0.39
PI4KA P42356 1/20 0.39
PIK3CG P48736 1/20 0.39
PDK1 Q15118 1/20 0.39
PIP5K1A Q99755 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
MAPK10 P53779 4/20 0.38
CPT1A P50416 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL952063 0.90 EGFR (0.44) MAPK14
SCHEMBL955474 0.85 GSK3B (0.40) MAPK14CPT1A
SCHEMBL952882 0.84 CDC7 (0.39) MAPK14CPT1A
SCHEMBL3794471 0.83 ATR (0.34)
SCHEMBL3794474 0.82 ATR (0.33)
SCHEMBL3791929 0.81 GSK3B (0.42) MAPK14
SCHEMBL954308 0.80 ADORA2A (0.36) MAPK14KDM4E
SCHEMBL10298569 0.78 PIK3C3 (0.34) MAPK14PIP5K1CPIK3CAMAPK10CPT1A
SCHEMBL10298733 0.78 PIK3C3 (0.35) MAPK14PIP5K1CPIK3CAMAPK10
SCHEMBL626876 0.78 PIK3C3 (0.34) MAPK14PIP5K1CPIK3CAMAPK10CPT1A

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 6 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-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
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 MAPK14 102/4885PIP5K1C 56/4885PIK3CA 7/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 MAPK14 899/4885PIP5K1C 198/4885PIK3CA 9/4885

“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.