SCHEMBL952647

SCHEMBL952647

COc1cccc(F)c1-c1nc(-c2c(C)nn3ccc(OCc4ccccc4)cc23)sc1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.37
SCD O00767 1/20 0.37
FFAR1 O14842 3/20 0.37
PPARD Q03181 6/20 0.36
CTSA P10619 3/20 0.36
PPARG P37231 2/20 0.35
F2RL3 Q96RI0 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
PDE10A Q9Y233 1/20 0.35

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
SCHEMBL953498 0.94 PLK1 (0.39) PLK1SCDFFAR1PPARDCTSA
SCHEMBL957485 0.88 SCD (0.40) SCDFFAR1PPARDMRGPRX4
SCHEMBL951783 0.85 CDC7 (0.43) SCDPPARD
SCHEMBL953922 0.84 MAP4K1 (0.36) CTSAF2RL3
SCHEMBL956260 0.84 PDE10A (0.33) FFAR1PPARDF2RL3PDE10A
SCHEMBL953838 0.82 CDC7 (0.44) PLK1SCDFFAR1PPARD
SCHEMBL957103 0.81 CDC7 (0.42) SCDFFAR1PPARG
SCHEMBL954286 0.79 NPC1 (0.34) PDE10A
SCHEMBL953256 0.79 CDC7 (0.44) PLK1SCDPPARD
SCHEMBL956093 0.78 SMN1; SMN2 (0.38)

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 PLK1 558/4885SCD 2732/4885FFAR1 2093/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 PLK1 1770/4885SCD 914/4885FFAR1 699/4885

“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.