SCHEMBL5553602

SCHEMBL5553602

CCOC(=O)Cc1nc(N(C)C(=O)OC(C)(C)C)sc1C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.40
HPGD P15428 4/20 0.40
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP1A2 P05177 1/20 0.36
CDC7 O00311 1/20 0.34
DBF4 Q9UBU7 1/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
MAPT P10636 3/20 0.34
KDM4E B2RXH2 3/20 0.34
LMNA P02545 2/20 0.34
GAA P10253 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PAX8 Q06710 1/20 0.33
TSHR P16473 1/20 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
SCHEMBL2717069 0.91 MEN1 (0.38) ALDH1A1HPGDKMT2AMEN1HSD17B10
SCHEMBL2717495 0.89 ALDH1A1 (0.40) ALDH1A1HPGDKMT2AMEN1HSD17B10
SCHEMBL28514334 0.84 NPC1 (0.46) ALDH1A1HPGDKMT2AHSD17B10CDC7
SCHEMBL2718805 0.80 MEN1 (0.36) ALDH1A1HPGDKMT2AMEN1HSD17B10
SCHEMBL2822907 0.78 ALDH1A1 (0.42) ALDH1A1HPGDKMT2AMEN1HSD17B10
SCHEMBL2718161 0.75 TSHR (0.51) ALDH1A1HPGDKMT2AMEN1CYP1A2
SCHEMBL29235452 0.75 KMT2A (0.39) ALDH1A1HPGDKMT2AMEN1CYP1A2
SCHEMBL2719635 0.74 NPC1 (0.49) ALDH1A1HPGDKMT2AHSD17B10CYP1A2
SCHEMBL19820663 0.74 MEN1 (0.68) ALDH1A1KMT2AMEN1NPC1MAPT
SCHEMBL30740576 0.73 ALDH1A1 (0.47) ALDH1A1HPGDKMT2AHSD17B10CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2635587-B1 6-ARYLAMINO PYRIDONE CARBOXAMIDE AS MEK INHIBITORS CENTAURUS BIOPHARMA CO LTD (CN) 2017-02-15 EP disclosed
EP-2635587-B1 6-ARYLAMINO PYRIDONE CARBOXAMIDE AS MEK INHIBITORS CENTAURUS BIOPHARMA CO LTD (CN) 2017-02-15 EP disclosed
US-9540396-B2 6-arylamino pyridone carboxamide as MEK inhibitors CENTAURUS BIOPHARMA CO., LTD. (CN) 2017-01-10 US disclosed
US-9540396-B2 6-arylamino pyridone carboxamide as MEK inhibitors CENTAURUS BIOPHARMA CO., LTD. (CN) 2017-01-10 US disclosed
US-20140080804-A1 NOVEL 6-ARYLAMINO PYRIDONE CARBOXAMIDE AS MEK INHIBITORS CENTAURUS BIOPHARMA CO., LTD. (CN) 2014-03-20 US disclosed
US-20140080804-A1 NOVEL 6-ARYLAMINO PYRIDONE CARBOXAMIDE AS MEK INHIBITORS CENTAURUS BIOPHARMA CO., LTD. (CN) 2014-03-20 US disclosed
WO-2012059041-A1 NOVEL 6-ARYLAMINO PYRIDONE CARBOXAMIDE AS MEK INHIBITORS CENTAURUS BIOPHARMA CO., LTD. (CN) 2012-05-10 WO 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-20140080804-A1 NOVEL 6-ARYLAMINO PYRIDONE CARBOXAMIDE AS MEK INHIBITORS MAP3K6, MAP3K1, MAP3K21 ALDH1A1 3046/4885HPGD 1125/4885KMT2A 1192/4885

“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.