SCHEMBL953253

SCHEMBL953253

COc1ccc(-c2ccc3nc(C)c(-c4nc(-c5ccccc5)c(-c5ncn(C6CCCCO6)n5)s4)n3c2)cc1OC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.34
SMPD3 Q9NY59 4/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
TSHR P16473 2/20 0.31
MAPK1 P28482 2/20 0.31
FYN P06241 1/20 0.31
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PDE4D Q08499 1/20 0.31
MAPT P10636 2/20 0.31
ABL1 P00519 1/20 0.31
F2RL1 P55085 1/20 0.31
SLC2A1 P11166 1/20 0.31
PIK3CA P42336 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
SCHEMBL954813 0.88 AKT1 (0.32)
SCHEMBL954345 0.87 AKT1 (0.40) ABL1F2RL1
SCHEMBL952687 0.86 AKT1 (0.35) ALOX5KDM4EALDH1A1MAPTABL1
SCHEMBL3807497 0.85 F2RL1 (0.32) ABL1F2RL1
SCHEMBL952549 0.84 F2RL1 (0.34) ABL1F2RL1
SCHEMBL956712 0.84 AKT1 (0.37) ABL1F2RL1
SCHEMBL13256833 0.83 F2RL1 (0.32) ABL1F2RL1
SCHEMBL954537 0.81 F2RL1 (0.33) ABL1F2RL1PIK3CA
SCHEMBL12947617 0.81 F2RL1 (0.31) F2RL1
SCHEMBL13256842 0.81 F2RL1 (0.31) F2RL1

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 ALOX5 3860/4885SMPD3 1916/4885L3MBTL1 2095/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 ALOX5 580/4885SMPD3 2321/4885L3MBTL1 1465/4885

“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.