SCHEMBL16923728

SCHEMBL16923728

Cc1ncc(Br)c2ccn(S(=O)(=O)N3CCCC3)c12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.42
▸ HTR6 P50406 2/20 0.41
▸ POLB P06746 2/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ TSHR P16473 1/20 0.39
▸ PIK3C3 Q8NEB9 7/20 0.36
▸ MAPT P10636 3/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MCOLN3 Q8TDD5 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ CRHBP P24387 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ TP53 P04637 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
SCHEMBL16923729 0.81 PIK3C3 (0.37) PIK3C3
SCHEMBL16916948 0.80 PIK3C3 (0.48) HTR6PIK3C3
SCHEMBL18232220 0.79 PIK3C3 (0.52) HTR6ALDH1A1PIK3C3HTT
SCHEMBL16916846 0.78 PIK3C3 (0.52) HTR6PIK3C3
SCHEMBL16923715 0.77 PIK3C3 (0.49) HTR6TSHRPIK3C3SMN1; SMN2GAA
SCHEMBL19662371 0.75 L3MBTL1 (0.45) BRD4HTR6POLBPIK3C3MAPT
SCHEMBL16916911 0.75 PIK3C3 (0.48) BRD4HTR6ALDH1A1TSHRPIK3C3
SCHEMBL16923789 0.74 HTR6 (0.38) HTR6PIK3C3
SCHEMBL16923791 0.73 PIK3C3 (0.54) BRD4HTR6TSHRPIK3C3MAPT
SCHEMBL16923704 0.71 PIK3C3 (0.77) PIK3C3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10202373-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-02-12 — — US disclosed
US-20160333007-A1 HETEROARYLS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-11-17 — — US disclosed
US-20160333007-A1 HETEROARYLS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-11-17 — — US disclosed
WO-2015108881-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-23 — — 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-20160333007-A1 HETEROARYLS AND USES THEREOF VPS35, VPS4B, VPS26B BRD4 58/4885HTR6 2282/4885POLB 1712/4885
US-10202373-B2 Heteroaryls and uses thereof VPS35, VPS4B, VPS26B BRD4 58/4885HTR6 2282/4885POLB 1712/4885

“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.

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