SCHEMBL954079

SCHEMBL954079

COc1cccc(F)c1-c1nc(-c2c(C)nn3ccc(OCCN4CCOCC4)cc23)sc1-c1nc[nH]n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
PTK2 Q05397 1/20 0.35
MAP4K1 Q92918 3/20 0.35
SYK P43405 3/20 0.35
UBE2N P61088 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
LRRK2 Q5S007 1/20 0.33
NPC1 O15118 1/20 0.33
AURKB Q96GD4 1/20 0.33
RIPK2 O43353 1/20 0.33
ABL1 P00519 1/20 0.33
SIK1 P57059 1/20 0.33
KCNH2 Q12809 1/20 0.33
SIK2 Q9H0K1 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
SIK3 Q9Y2K2 1/20 0.33

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
SCHEMBL957296 0.93 MAP4K1 (0.37) MAP4K1
SCHEMBL6845055 0.91 CNR1 (0.37) CNR1CNR2SYKUBE2NNPC1
SCHEMBL6842775 0.90 SYK (0.34) CNR1CNR2SYKUBE2NNPC1
SCHEMBL952154 0.90 MAP4K1 (0.32) MAP4K1
SCHEMBL954160 0.89 PDE2A (0.36) CNR1CNR2JAK2JAK3PTK2
SCHEMBL13256713 0.88 MAP4K1 (0.32) MAP4K1
SCHEMBL16937981 0.86 JAK2 (0.35) CNR1CNR2JAK2JAK3PTK2
SCHEMBL6845067 0.85 MEN1 (0.32) CNR1CNR2SYK
SCHEMBL956260 0.84 PDE10A (0.33) MAP4K1
SCHEMBL13256714 0.84 TSHR (0.33) TSHRPIK3CA

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 15 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
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-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US 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 CNR1 3484/4885CNR2 3598/4885JAK2 14/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 CNR1 290/4885CNR2 486/4885JAK2 44/4885

“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.