SCHEMBL954074

SCHEMBL954074

Cc1ccc(S(=O)(=O)ON2CCN(CCOc3ccn4nc(C)c(-c5nc(-c6ccccc6)c(-c6nc[nH]n6)s5)c4c3)CC2=O)cc1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 1/20 0.32
ADORA2A P29274 2/20 0.30
ADORA1 P30542 2/20 0.30

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
SCHEMBL954073 0.88 ADCY10 (0.32) ENPP1ADORA2AADORA1
SCHEMBL6842764 0.87 PIM1 (0.34) ADORA2AADORA1
Hydrochloric Acid SCHEMBL953916 0.87 PIM1 (0.34) ADORA2AADORA1
SCHEMBL953161 0.86 LCK (0.34) ENPP1ADORA2AADORA1
SCHEMBL954942 0.86 ADCY10 (0.35) ADORA2AADORA1
SCHEMBL956295 0.85 ALK (0.32) ENPP1ADORA2AADORA1
SCHEMBL952583 0.84 KCNA5 (0.36) ENPP1
SCHEMBL955622 0.84 LTA4H (0.34) ENPP1ADORA2AADORA1
SCHEMBL958287 0.84 HTR1A (0.33) ENPP1ADORA2AADORA1
SCHEMBL952131 0.84 ALK (0.35) ADORA2AADORA1

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 ENPP1 2661/4885ADORA2A 2838/4885ADORA1 2457/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 ENPP1 3378/4885ADORA2A 1184/4885ADORA1 1568/4885

“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.