Sugi Predict

Sugi Predict / Compounds / SCHEMBL2628031

SCHEMBL2628031

SCHEMBL2628031

COc1cccc2onc(NCC(c3ccccc3)c3c(C)noc3C)c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 4/20 0.54
▸ GAA P10253 1/20 0.43
▸ SGMS1 Q86VZ5 1/20 0.39
▸ SGMS2 Q8NHU3 1/20 0.39
▸ KAT6A Q92794 11/20 0.38
▸ KAT7 O95251 10/20 0.38
▸ NPY2R P49146 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ KAT6B Q8WYB5 7/20 0.37
▸ KAT5 Q92993 5/20 0.37
▸ KAT8 Q9H7Z6 5/20 0.37
▸ NR3C1 P04150 1/20 0.37
▸ PGR P06401 1/20 0.37

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
SCHEMBL2628030 0.85 KCNA5 (0.52) KCNA5GAASGMS1SGMS2KAT6A
SCHEMBL2628029 0.84 KCNA5 (0.51) KCNA5SGMS1SGMS2KAT6AKAT7
SCHEMBL1478152 0.82 KCNA5 (0.61) KCNA5SGMS1SGMS2KAT6AKAT7
SCHEMBL1478104 0.82 KCNA5 (0.61) KCNA5SGMS1SGMS2KAT6AKAT7
SCHEMBL1478103 0.82 KCNA5 (0.61) KCNA5SGMS1SGMS2KAT6AKAT7
SCHEMBL2633191 0.78 KCNA5 (0.56) KCNA5SGMS1SGMS2KAT6AKAT7
SCHEMBL2628028 0.73 KCNA5 (0.52) KCNA5SGMS1SGMS2KAT6AKAT7
SCHEMBL1478346 0.71 KCNA5 (0.47) KCNA5SGMS1SGMS2KAT6AKAT7
SCHEMBL1478328 0.71 KCNA5 (0.48) KCNA5SGMS1SGMS2KAT6AKAT7
SCHEMBL1478871 0.71 KCNA5 (1.00) KCNA5SGMS1SGMS2KAT6AKAT7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8357809-B2 Acyclic IKur inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-22 — — US disclosed
US-8357809-B2 Acyclic IKur inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-22 — — US disclosed
US-20120094983-A1 ACYCLIC IKUR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-04-19 — — US disclosed
US-20120094983-A1 ACYCLIC IKUR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-04-19 — — US disclosed
US-7915410-B2 Acyclic IKur inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-29 — — US disclosed
US-7915410-B2 Acyclic IKur inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-29 — — US disclosed
US-20070082909-A1 Acyclic Ikur inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-04-12 — — US disclosed
US-20070082909-A1 Acyclic Ikur inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-04-12 — — US disclosed
WO-2007030582-A2 ACYCLIC IKUR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-15 — — 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-20070082909-A1 Acyclic Ikur inhibitors KCNH2, KCNJ2, KCNH3 KCNA5 67/4885GAA 4065/4885SGMS1 3050/4885
US-20120094983-A1 ACYCLIC IKUR INHIBITORS KCNH2, KCNJ2, KCNH3 KCNA5 67/4885GAA 4065/4885SGMS1 3050/4885

“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.