SCHEMBL17618007

SCHEMBL17618007

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.48
ATAD2 Q6PL18 1/20 0.48
HRH4 Q9H3N8 1/20 0.40
PDE2A O00408 2/20 0.33
PDE6D O43924 2/20 0.33
PDE8A O60658 2/20 0.33
PDE5A O76074 2/20 0.33
PDE9A O76083 2/20 0.33
PDE8B O95263 2/20 0.33
PDE6A P16499 2/20 0.33
PDE6G P18545 2/20 0.33
PDE4A P27815 2/20 0.33
PDE6B P35913 2/20 0.33
PDE6C P51160 2/20 0.33
PDE1A P54750 2/20 0.33
PDE1B Q01064 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
PDE3B Q13370 2/20 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
SCHEMBL21308412 0.84 DAO (0.48) DAOATAD2HRH4PDE2APDE6D
SCHEMBL17601429 0.76 DAO (0.62) DAOATAD2HRH4PDE2APDE6D
SCHEMBL17614885 0.73 DAO (0.47) DAOHRH4IDH1KDM4EALDH1A1
SCHEMBL22222354 0.73 DAO (0.47) DAOHRH4IDH1KDM4EALDH1A1
SCHEMBL17614884 0.73 DAO (0.47) DAOHRH4IDH1KDM4EALDH1A1
SCHEMBL23563874 0.72 P2RX7 (0.40) PDE2AKDM4EALDH1A1KMT2A
SCHEMBL23526547 0.72 P2RX7 (0.40) PDE2AKDM4EALDH1A1KMT2A
SCHEMBL23526545 0.72 P2RX7 (0.40) PDE2AKDM4EALDH1A1KMT2A
SCHEMBL20102638 0.71 IDH1 (0.40) DAOHRH4IDH1KMT2A
SCHEMBL17616105 0.71 IDH1 (0.40) DAOHRH4IDH1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3194383-B1 QUINOLINONE PYRIMIDINES COMPOSITIONS AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS FORMA THERAPEUTICS INC (US) 2019-11-06 EP disclosed
US-20190210995-A1 QUINOLINONE PYRIMIDINES COMPOSITIONS AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS FORMA THERAPEUTICS, INC. 2019-07-11 US disclosed
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
US-20180134682-A1 QUINOLINONE PYRIMIDINES COMPOSITIONS AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS FORMA THERAPEUTICS, INC. 2018-05-17 US disclosed
US-9815817-B2 Quinolinone pyrimidines compositions as mutant-isocitrate dehydrogenase inhibitors FORMA THERAPEUTICS, INC. (US) 2017-11-14 US disclosed
US-9815817-B2 Quinolinone pyrimidines compositions as mutant-isocitrate dehydrogenase inhibitors FORMA THERAPEUTICS, INC. (US) 2017-11-14 US disclosed
US-20160083365-A1 QUINOLINONE PYRIMIDINES COMPOSITIONS AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS FORMA THERAPEUTICS, INC. 2016-03-24 US disclosed
WO-2016044781-A1 QUINOLINONE PYRIMIDINES COMPOSITIONS AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS FORMA THERAPEUTICS, INC. (US) 2016-03-24 WO disclosed
US-20160083365-A1 QUINOLINONE PYRIMIDINES COMPOSITIONS AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS FORMA THERAPEUTICS, INC. 2016-03-24 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 (4 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 DAO 947/4885ATAD2 458/4885HRH4 1543/4885
US-20190210995-A1 QUINOLINONE PYRIMIDINES COMPOSITIONS AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS IDH1, IDH2, IDH3A DAO 869/4885ATAD2 784/4885HRH4 2606/4885
US-20180134682-A1 QUINOLINONE PYRIMIDINES COMPOSITIONS AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS IDH1, IDH3A, IDH3B DAO 947/4885ATAD2 458/4885HRH4 1543/4885
US-20160083365-A1 QUINOLINONE PYRIMIDINES COMPOSITIONS AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS IDH1, IDH3A, IDH3B DAO 947/4885ATAD2 458/4885HRH4 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.