Sugi Predict

Sugi Predict / Compounds / SCHEMBL505933

SCHEMBL505933

SCHEMBL505933

CC1(C)OB(c2ccc(=O)n(C3CCCC3)c2)OC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 12/20 0.37
▸ LIPG Q9Y5X9 12/20 0.37
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA3 P07451 1/20 0.35
▸ CA4 P22748 1/20 0.35
▸ CA6 P23280 1/20 0.35
▸ CA5A P35218 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ CA5B Q9Y2D0 1/20 0.35
▸ BMPR1B O00238 2/20 0.34
▸ BMPR1A P36894 2/20 0.34
▸ TGFBR1 P36897 2/20 0.34
▸ ACVRL1 P37023 2/20 0.34
▸ ACVR1 Q04771 2/20 0.34
▸ HIF1A Q16665 1/20 0.33
▸ F11 P03951 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
SCHEMBL22655333 0.97 LPL (0.37) LPLLIPGCA1CA2CA9
SCHEMBL16465375 0.94 LPL (0.39) LPLLIPGCA1CA2CA9
SCHEMBL14730026 0.89 LPL (0.36) LPLLIPGCA1CA2CA9
SCHEMBL21722599 0.86 LPL (0.37) LPLLIPGCA1CA2CA9
SCHEMBL505907 0.84 MAP4K1 (0.35) LPLLIPGCA1CA2CA9
SCHEMBL22553373 0.83 LPL (0.36) LPLLIPGCA1CA2CA9
SCHEMBL22655365 0.83 ACVRL1 (0.41) LPLLIPGCA1CA2CA9
SCHEMBL22553466 0.82 LPL (0.35) LPLLIPGCA1CA2CA9
SCHEMBL29066212 0.81 BMPR1B (0.32) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL29526926 0.81 BMPR1B (0.33) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3713927-B1 PYRIDINONE DERIVATIVES AND THEIR USE AS SELECTIVE ALK-2 INHIBITORS NOVARTIS AG (CH) 2021-12-15 — — EP disclosed
US-11160797-B2 Pyridinone derivatives and their use as selective ALK-2 inhibitors NOVARTIS AG (CH) 2021-11-02 — — US disclosed
US-11160797-B2 Pyridinone derivatives and their use as selective ALK-2 inhibitors NOVARTIS AG (CH) 2021-11-02 — — US disclosed
CN-109293652-B Substituted thiazole derivative and application thereof 四川科伦博泰生物医药股份有限公司 2021-10-22 — — CN disclosed
US-20200360357-A1 Pyridinone derivatives and their use as selective ALK-2 inhibitors NOVARTIS AG (CH) 2020-11-19 — — US disclosed
US-20200360357-A1 Pyridinone derivatives and their use as selective ALK-2 inhibitors NOVARTIS AG (CH) 2020-11-19 — — US disclosed
CN-111433195-A Pyridone derivatives and their use as selective A L K-2 inhibitors 诺华股份有限公司 2020-07-17 — — CN disclosed
US-20170137407-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2017-05-18 — — US disclosed
US-20170137407-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2017-05-18 — — US disclosed
US-20170137407-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2017-05-18 — — US disclosed
EP-2751093-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Infinity Pharmaceuticals, Inc. (US) 2014-07-09 — — EP disclosed
US-20140100214-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. (US) 2014-04-10 — — US disclosed
EP-2569313-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2013-03-20 — — EP disclosed
WO-2013032591-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS INC. (US) 2013-03-07 — — WO disclosed
WO-2013032591-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS INC. (US) 2013-03-07 — — WO disclosed
WO-2013030288-A1 SUBSTITUTED ANNELLATED PYRIMIDINE AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-07 — — WO disclosed
US-20130053362-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLKINE, LLC (US) 2013-02-28 — — US disclosed
US-20130053362-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLKINE, LLC (US) 2013-02-28 — — US disclosed
US-20120027874-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-02 — — US disclosed
WO-2011143426-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-17 — — 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 (6 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-20130053362-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AKT3, PIK3CA, AKT1 LPL 1930/4885LIPG 1091/4885CA1 2993/4885
US-20120027874-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, CHEK2 LPL 4640/4885LIPG 3962/4885CA1 4196/4885
US-20140100214-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AKT3, PIK3CA, AKT1 LPL 1930/4885LIPG 1091/4885CA1 2993/4885
US-20200360357-A1 Pyridinone derivatives and their use as selective ALK-2 inhibitors ALK, ACVR2B, ACVR1B LPL 2799/4885LIPG 2497/4885CA1 4749/4885
US-20170137407-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AKT3, PIK3CA, AKT1 LPL 1930/4885LIPG 1091/4885CA1 2993/4885
US-11160797-B2 Pyridinone derivatives and their use as selective ALK-2 inhibitors ALK, ACVR2B, ACVR1B LPL 2799/4885LIPG 2497/4885CA1 4749/4885

“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.