SCHEMBL952372

SCHEMBL952372

Cc1nn2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2c1-c1nc(-c2ccccc2)c(-c2ncn(C3CCCCO3)n2)s1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.35
NEK2 P51955 2/20 0.34
CHEK2 O96017 1/20 0.33
GABRA5 P31644 1/20 0.33
P2RX3 P56373 2/20 0.33
P2RX2 Q9UBL9 2/20 0.33
HPGD P15428 1/20 0.32
HPGDS O60760 1/20 0.32
CKS1B P61024 2/20 0.32
SKP1 P63208 2/20 0.32
SKP2 Q13309 2/20 0.32
TNK2 Q07912 1/20 0.32

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
SCHEMBL952525 0.82 DRD1 (0.32) GABRA5
SCHEMBL953598 0.82 DRD1 (0.31)
SCHEMBL953238 0.81 CYP4F2 (0.31)
SCHEMBL953881 0.80 LTA4H (0.34)
SCHEMBL952375 0.80 AVPR1B (0.33)
SCHEMBL956028 0.79 FGFR1 (0.35)
SCHEMBL953063 0.79 HRH3 (0.33)
SCHEMBL955086 0.78 ADORA2A (0.30)
SCHEMBL953625 0.78 HRH3 (0.32)
SCHEMBL954251 0.77 CTSS (0.31)

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 GPR119 316/4885NEK2 851/4885CHEK2 873/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 GPR119 76/4885NEK2 1909/4885CHEK2 1075/4885

“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.