SCHEMBL21136487

SCHEMBL21136487

CCOC(=O)c1c(Nc2ccc(C)cc2Cl)n(C)c(=O)c2ccoc12

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.38
LMNA P02545 4/20 0.38
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
BAZ2B Q9UIF8 1/20 0.35
BAZ2A Q9UIF9 1/20 0.35
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
SPR P35270 1/20 0.35
AKT1 P31749 1/20 0.35
KDR P35968 1/20 0.35
MAPT P10636 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KMT2A Q03164 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL21132542 0.91 MAP2K1 (0.44) LMNAALDH1A1KDM4ESPRMAPT
SCHEMBL18519079 0.85 LMNA (0.39) TP53LMNAPOLBGAATDP1
SCHEMBL18518674 0.83 MAP2K1 (0.45)
SCHEMBL18518790 0.81 MAP2K1 (0.36) TP53POLBGAATDP1ALDH1A1
SCHEMBL13063536 0.81 MAP2K1 (0.52)
SCHEMBL18518668 0.79 MAP2K1 (0.40) ALDH1A1KDM4EMAPTKMT2ACYP1A2
SCHEMBL2719489 0.76 MAP2K1 (0.39)
SCHEMBL5553673 0.76 MAP2K1 (0.44) LMNASPR
SCHEMBL18518815 0.75 MAP2K1 (0.41) LMNAKMT2ACYP1A2
SCHEMBL2718528 0.75 MAP2K1 (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190177335-A1 METHOD FOR PREPARING INTERMEDIATE OF 6-ARYLAMINOPYRIDONECARBOXAMIDE COMPOUND AS MEK INHIBITOR CENTAURUS BIOPHARMA CO., LTD. (CN) 2019-06-13 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-20190177335-A1 METHOD FOR PREPARING INTERMEDIATE OF 6-ARYLAMINOPYRIDONECARBOXAMIDE COMPOUND AS MEK INHIBITOR MAPK6, MAP3K6, BRAF TP53 2768/4885LMNA 1064/4885POLB 2572/4885

“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.