SCHEMBL2640706

SCHEMBL2640706

CCC(C)n1cc(B2OC(C)(C)C(C)(C)O2)ccc1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 13/20 0.42
LIPG Q9Y5X9 13/20 0.42
FFAR1 O14842 1/20 0.36
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
ESR2 Q92731 1/20 0.35
F11 P03951 1/20 0.35
BMPR1B O00238 1/20 0.34
BMPR1A P36894 1/20 0.34
TGFBR1 P36897 1/20 0.34
ACVRL1 P37023 1/20 0.34

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
SCHEMBL506070 0.87 LPL (0.39) LPLLIPGFFAR1CA1CA2
SCHEMBL22655335 0.87 LIPG (0.43) LPLLIPGFFAR1CA1CA2
SCHEMBL505914 0.85 LPL (0.41) LPLLIPGFFAR1CA1CA2
SCHEMBL506126 0.85 LPL (0.36) LPLLIPGFFAR1CA1CA2
SCHEMBL505959 0.81 LPL (0.34) LPLLIPGFFAR1CA1CA2
SCHEMBL12492834 0.81 LPL (0.42) LPLLIPGFFAR1CA1CA2
SCHEMBL21916888 0.79 LPL (0.37) LPLLIPGFFAR1CA1CA2
SCHEMBL506825 0.79 LPL (0.39) LPLLIPGFFAR1CA1CA2
SCHEMBL506413 0.79 ESR2 (0.43) LPLLIPGFFAR1CA1CA2
SCHEMBL505949 0.78 LPL (0.36) LPLLIPGFFAR1CA1CA2

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
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
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-9630956-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-04-25 US disclosed
EP-2569313-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2013-03-20 EP 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 (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-20200360357-A1 Pyridinone derivatives and their use as selective ALK-2 inhibitors ALK, ACVR2B, ACVR1B LPL 2799/4885LIPG 2497/4885FFAR1 1341/4885
US-11160797-B2 Pyridinone derivatives and their use as selective ALK-2 inhibitors ALK, ACVR2B, ACVR1B LPL 2799/4885LIPG 2497/4885FFAR1 1341/4885

“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.