SCHEMBL956260

SCHEMBL956260

COc1cccc(F)c1-c1nc(-c2c(C)nn3ccc(OCc4ccccc4)cc23)sc1-c1nc[nH]n1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.33
MAP4K1 Q92918 4/20 0.33
F2RL3 Q96RI0 4/20 0.32
PPARD Q03181 7/20 0.32
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
FFAR1 O14842 2/20 0.31
CCNT1 O60563 1/20 0.31
CDK9 P50750 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
SCHEMBL13256713 0.90 MAP4K1 (0.32) MAP4K1
SCHEMBL952279 0.89 PDE10A (0.32) PDE10APPARDFFAR1
SCHEMBL13256714 0.85 TSHR (0.33)
SCHEMBL957296 0.85 MAP4K1 (0.37) MAP4K1
SCHEMBL957617 0.85 MAP4K1 (0.38) MAP4K1F2RL3
SCHEMBL954079 0.84 CNR1 (0.35) MAP4K1
SCHEMBL13256921 0.84 CHEK2 (0.35) MAP4K1
SCHEMBL952647 0.84 PLK1 (0.37) PDE10AF2RL3PPARDFFAR1
SCHEMBL953498 0.82 PLK1 (0.39) F2RL3PPARDFFAR1
SCHEMBL952154 0.82 MAP4K1 (0.32) MAP4K1

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 PDE10A 964/4885MAP4K1 232/4885F2RL3 4796/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 PDE10A 2771/4885MAP4K1 476/4885F2RL3 2057/4885

“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.