SCHEMBL17601006

SCHEMBL17601006

CC(C)(C)N(Cc1ccnc(Cl)n1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FFAR1 O14842 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
POLB P06746 1/20 0.33
GRM5 P41594 1/20 0.33
LMNA P02545 4/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CNR2 P34972 1/20 0.32
SHMT1 P34896 1/20 0.31
SHMT2 P34897 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL22657003 0.76 MEN1 (0.35) MEN1KMT2AHTTL3MBTL1TDP1
SCHEMBL15912936 0.75 HRH3 (0.42) GRM5ALDH1A1
SCHEMBL22366423 0.75 LMNA (0.39) MEN1KMT2AHTTL3MBTL1TDP1
SCHEMBL22366419 0.74 CYP1A2 (0.49) MEN1KMT2AHTTL3MBTL1TDP1
SCHEMBL16989291 0.73 MEN1 (0.39) MEN1KMT2AHTTL3MBTL1TDP1
SCHEMBL16989065 0.73 RECQL (0.40) MEN1KMT2AHTTL3MBTL1TDP1
SCHEMBL12541475 0.73 ALDH1A1 (0.42) MEN1KMT2AHTTL3MBTL1TDP1
SCHEMBL68419 0.73 RECQL (0.47) MEN1KMT2AHTTL3MBTL1FFAR1
SCHEMBL946099 0.73 MEN1 (0.41) MEN1KMT2AHTTL3MBTL1TDP1
SCHEMBL18546474 0.73 SIRT6 (0.39) MEN1KMT2AHTTL3MBTL1TDP1

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20160083365-A1 QUINOLINONE PYRIMIDINES COMPOSITIONS AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS IDH1, IDH3A, IDH3B MEN1 2212/4885KMT2A 782/4885HTT 622/4885

“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.