SCHEMBL20137337

SCHEMBL20137337

COC(=O)C(C)(C[SH](=O)=O)c1ccnc(Cl)n1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.33
CYP2C19 P33261 1/20 0.32
STK17B O94768 1/20 0.32
STK17A Q9UEE5 1/20 0.32
ATR Q13535 1/20 0.32
PLCG1 P19174 1/20 0.31
TRPV1 Q8NER1 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
SCHEMBL21373779 0.79 PLCG1 (0.41) AAK1CYP2C19ATRPLCG1TRPV1
SCHEMBL21373866 0.75 AAK1 (0.33) AAK1CYP2C19ATRPLCG1TRPV1
SCHEMBL21381613 0.75 MEN1 (0.37) AAK1CYP2C19ATRPLCG1TRPV1
SCHEMBL29228044 0.73 ALOX5 (0.38) AAK1CYP2C19ATRTRPV1
SCHEMBL17601049 0.73 DYRK1A (0.33) AAK1CYP2C19ATRPLCG1TRPV1
SCHEMBL24107224 0.73 MEN1 (0.34) AAK1TRPV1
SCHEMBL31515052 0.73 MEN1 (0.34) AAK1TRPV1
SCHEMBL21381422 0.72 AAK1 (0.37) AAK1CYP2C19ATRPLCG1TRPV1
SCHEMBL21373756 0.72 AAK1 (0.38) AAK1CYP2C19STK17BSTK17AATR
SCHEMBL10175021 0.70 CYP1A2 (0.42) AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10550099-B2 Quinolinone pyrimidines compositions as mutant-isocitrate dehydrogenase inhibitors FORMA THERAPEUTICS, INC. (US) 2020-02-04 US disclosed
US-20190263779-A1 QUINOLINONE PYRIMIDINES COMPOSITIONS AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS FORMA THERAPEUTICS, INC. 2019-08-29 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

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 AAK1 2088/4885CYP2C19 2806/4885STK17B 526/4885
US-10550099-B2 Quinolinone pyrimidines compositions as mutant-isocitrate dehydrogenase inhibitors IDH1, IDH3A, IDH3B AAK1 2088/4885CYP2C19 2806/4885STK17B 526/4885
US-20180134682-A1 QUINOLINONE PYRIMIDINES COMPOSITIONS AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS IDH1, IDH3A, IDH3B AAK1 2088/4885CYP2C19 2806/4885STK17B 526/4885
US-20190263779-A1 QUINOLINONE PYRIMIDINES COMPOSITIONS AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS IDH1, IDH3A, IDH3B AAK1 2088/4885CYP2C19 2806/4885STK17B 526/4885

“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.