SCHEMBL3986519

SCHEMBL3986519

CC(C)Cc1ncc[nH]c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.45
PDE3A Q14432 2/20 0.45
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DAO P14920 1/20 0.35
TXN P10599 1/20 0.35
TXNRD1 Q16881 1/20 0.35
HPGD P15428 3/20 0.35
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 1/20 0.34
TAAR1 Q96RJ0 3/20 0.33
TSHR P16473 1/20 0.33
GRIA1 P42261 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIA3 P42263 1/20 0.32
GRIA4 P48058 1/20 0.32
KDM4A O75164 1/20 0.32
KDM4B O94953 1/20 0.32
KDM5C P41229 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
SCHEMBL3914921 0.81 JAK2 (0.32) PDE3BPDE3AALDH1A1SMN1; SMN2TXN
SCHEMBL9593515 0.78
SCHEMBL14206716 0.74 PDE3B (0.44) PDE3BPDE3AALDH1A1SMN1; SMN2HPGD
SCHEMBL13698378 0.74
SCHEMBL13447364 0.72 CYP1A2 (0.42) PDE3BPDE3AALDH1A1SMN1; SMN2DAO
SCHEMBL18858530 0.71 PDE3B (0.44) PDE3BPDE3AHPGDKDM4ETSHR
SCHEMBL233107 0.71
SCHEMBL13939862 0.71 TBXAS1 (0.35) PDE3BPDE3AALDH1A1SMN1; SMN2KDM4E
SCHEMBL2538635 0.70 CYP1A2 (0.41) PDE3BPDE3A
SCHEMBL13412493 0.70 DAO (0.39) ALDH1A1SMN1; SMN2DAOKDM4AKDM4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024059665-A1 DIMERIC COMPOUNDS AS INHIBITORS OF GLYCOGEN SYNTHASE 1 (GYS1) AND METHODS OF USE THEREOF MAZE THERAPEUTICS, INC. (US) 2024-03-21 WO disclosed
US-11814367-B2 Inhibitors of glycogen synthase 1 (GYS1) and methods of use thereof MAZE THERAPEUTICS, INC. (US) 2023-11-14 US disclosed
US-11174256-B2 Imidazopyridine derivatives GILEAD SCIENCES, INC. (US) 2021-11-16 US disclosed
EP-2034993-A2 PYRAZINONES AS CELLULAR PROLIFERATION INHIBITORS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2009-03-18 EP disclosed
WO-2007149448-A2 PYRAZINONES AS CELLULAR PROLIFERATION INHIBITORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-12-27 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-11814367-B2 Inhibitors of glycogen synthase 1 (GYS1) and methods of use thereof GYS2, GYS1, PYGL PDE3B 2014/4885PDE3A 2135/4885ALDH1A1 2458/4885
US-11174256-B2 Imidazopyridine derivatives TPMT, IRAK4, CFTR PDE3B 42/4885PDE3A 62/4885ALDH1A1 193/4885

“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.