SCHEMBL20156402

SCHEMBL20156402

CC(C)(N[S@+]([O-])C(C)(C)C)c1cc2ncccc2[nH]c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.51
DAO P14920 1/20 0.48
HRH4 Q9H3N8 1/20 0.34
IDH1 O75874 1/20 0.34
PARP1 P09874 3/20 0.34
KDM4E B2RXH2 3/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CNR2 P34972 1/20 0.33
MAPT P10636 1/20 0.33
SNCA P37840 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
PDE2A O00408 1/20 0.33
PDE6D O43924 1/20 0.33
PDE8A O60658 1/20 0.33
PDE5A O76074 1/20 0.33
PDE9A O76083 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
SCHEMBL22016868 0.80 ATAD2 (0.64) ATAD2DAOHRH4IDH1PARP1
SCHEMBL19592854 0.78 ATAD2 (0.49) ATAD2DAOHRH4IDH1PARP1
SCHEMBL17601269 0.77 ATAD2 (0.48) ATAD2DAOHRH4IDH1PARP1
SCHEMBL17601271 0.77 ATAD2 (0.48) ATAD2DAOHRH4IDH1PARP1
SCHEMBL17618006 0.77 ATAD2 (0.48) ATAD2DAOHRH4IDH1PARP1
SCHEMBL29456567 0.74 DAO (0.59) ATAD2DAOHRH4PARP1KDM4E
SCHEMBL17618007 0.70 DAO (0.48) ATAD2DAOHRH4IDH1PARP1
SCHEMBL30663285 0.69 ATAD2 (1.00) ATAD2DAOHRH4PARP1KDM4E
SCHEMBL24390514 0.66 ATAD2 (0.66) ATAD2DAOHRH4PARP1KDM4E
SCHEMBL3364094 0.66 DAO (1.00) ATAD2DAOHRH4PARP1PDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10280150-B2 Quinolinone pyrimidines compositions as mutant-isocitrate dehydrogenase inhibitors FORMA TM2, INC. (US) 2019-05-07 US disclosed
US-20180134682-A1 QUINOLINONE PYRIMIDINES COMPOSITIONS AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS FORMA THERAPEUTICS, INC. 2018-05-17 US 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-10280150-B2 Quinolinone pyrimidines compositions as mutant-isocitrate dehydrogenase inhibitors IDH1, IDH3A, IDH3B ATAD2 458/4885DAO 947/4885HRH4 1543/4885
US-20180134682-A1 QUINOLINONE PYRIMIDINES COMPOSITIONS AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS IDH1, IDH3A, IDH3B ATAD2 458/4885DAO 947/4885HRH4 1543/4885

“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.