SCHEMBL20003973

SCHEMBL20003973

CC(C)(N)c1cc2cc(Cl)cc(F)c2[nH]c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 6/20 0.40
IDH1 O75874 2/20 0.36
PYGL P06737 1/20 0.35
PYGM P11217 1/20 0.35
GRIN2D O15399 3/20 0.33
GRIN3B O60391 3/20 0.33
GRIN1 Q05586 3/20 0.33
GRIN2A Q12879 3/20 0.33
GRIN2B Q13224 3/20 0.33
GRIN2C Q14957 3/20 0.33
GRIN3A Q8TCU5 3/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HSD17B10 Q99714 1/20 0.33
DAO P14920 1/20 0.32
DDO Q99489 1/20 0.32
MAP2 P11137 1/20 0.32
NEK1 Q96PY6 1/20 0.31
AKR1B1 P15121 1/20 0.30

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
SCHEMBL22198970 0.76 HRH4 (0.45) HRH4IDH1PYGLPYGMGRIN2D
SCHEMBL22185228 0.74 HRH4 (0.43) HRH4IDH1PYGLPYGMGRIN2D
SCHEMBL18171730 0.74 HRH4 (0.43) HRH4IDH1PYGLPYGMGRIN2D
SCHEMBL17601436 0.73 IDH1 (0.47) HRH4IDH1PYGLPYGMGRIN2D
SCHEMBL30064708 0.73 IDH1 (0.47) HRH4IDH1PYGLPYGMGRIN2D
SCHEMBL17601439 0.73 IDH1 (0.47) HRH4IDH1PYGLPYGMGRIN2D
SCHEMBL3361624 0.73 DAO (0.58) HRH4DAODDO
SCHEMBL21549766 0.73 IDH1 (0.49) HRH4IDH1PYGLPYGMGRIN2D
SCHEMBL18744798 0.73 HRH4 (0.40) HRH4IDH1PYGLPYGMGRIN2D
SCHEMBL17603802 0.73 DAO (0.55) IDH1GRIN2DGRIN3BGRIN1GRIN2A

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-10253015-B2 Pyridinyl quinolinone derivatives as mutant-isocitrate dehydrogenase inhibitors FORMA TM2, INC. (US) 2019-04-09 US disclosed
US-20180086733-A1 PYRIDINYL QUINOLINONE DERIVATIVES AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS FORMA THERAPEUTICS, INC. 2018-03-29 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-10253015-B2 Pyridinyl quinolinone derivatives as mutant-isocitrate dehydrogenase inhibitors IDH1, IDH3A, IDH3B HRH4 1785/4885IDH1 1/4885PYGL 2098/4885
US-20180086733-A1 PYRIDINYL QUINOLINONE DERIVATIVES AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS IDH1, IDH3A, IDH3B HRH4 1785/4885IDH1 1/4885PYGL 2098/4885

“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.