SCHEMBL10318441

SCHEMBL10318441

CC(C)(C)OC(=O)NCC[C@H](N)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
GAA P10253 1/20 0.50
CTSK P43235 4/20 0.49
CTSS P25774 2/20 0.49
MALT1 Q9UDY8 1/20 0.48
IDO1 P14902 1/20 0.48
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
KCNA5 P22460 1/20 0.46
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
GPR88 Q9GZN0 1/20 0.45
BCHE P06276 1/20 0.43
SYK P43405 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL10317783 1.00 MEN1 (0.50) MEN1KMT2AGAACTSKCTSS
SCHEMBL10317785 1.00 MEN1 (0.50) MEN1KMT2AGAACTSKCTSS
SCHEMBL10323702 0.92 MEN1 (0.58) MEN1KMT2AGAACTSKCTSS
SCHEMBL10324521 0.91 MEN1 (0.54) MEN1KMT2AGAACTSKCTSS
SCHEMBL20768558 0.88 MEN1 (0.47) MEN1KMT2AGAACTSKCTSS
SCHEMBL20014854 0.87 MTNR1A (0.61) MEN1KMT2AGAACTSKCTSS
SCHEMBL5268980 0.86 GAA (0.44) MEN1KMT2AGAACTSKCTSS
SCHEMBL3652339 0.86 DRD2 (0.48) MEN1KMT2AGAAMALT1IDO1
SCHEMBL22691009 0.86 ANPEP (0.52) MEN1KMT2AGAACTSKCTSS
SCHEMBL20768589 0.86 ANPEP (0.52) MEN1KMT2AGAACTSKCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012098065-A1 PYRIDO PYRIMIDINES FOR USE AS DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 WO disclosed
WO-2012098070-A1 QUINOLINE DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 WO disclosed
US-20120184542-A1 PYRIDO PYRIMIDINES ANDERSON KEVIN (US) 2012-07-19 US disclosed
US-20120184542-A1 PYRIDO PYRIMIDINES ANDERSON KEVIN (US) 2012-07-19 US disclosed
US-20120184542-A1 PYRIDO PYRIMIDINES ANDERSON KEVIN (US) 2012-07-19 US disclosed
US-20120184548-A1 CARBOXYLIC ACID ARYL AMIDES DOMINIQUE ROMYR (US) 2012-07-19 US disclosed
US-20120184548-A1 CARBOXYLIC ACID ARYL AMIDES DOMINIQUE ROMYR (US) 2012-07-19 US disclosed
US-20120184548-A1 CARBOXYLIC ACID ARYL AMIDES DOMINIQUE ROMYR (US) 2012-07-19 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-20120184548-A1 CARBOXYLIC ACID ARYL AMIDES GOT1, PPARG, PPARA MEN1 2323/4885KMT2A 869/4885GAA 96/4885
US-20120184542-A1 PYRIDO PYRIMIDINES TYMS, TYMP, DPYD MEN1 1193/4885KMT2A 2283/4885GAA 860/4885

“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.