SCHEMBL7069581

SCHEMBL7069581

COc1c(NC(C)=O)cc(C(C)(C)C)cc1NC(=O)Nc1ccc(-c2ccc(N3CCOCC3)nc2C)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.53
ABL1 P00519 1/20 0.53
EGFR P00533 1/20 0.53
RAF1 P04049 1/20 0.53
LYN P07948 1/20 0.53
EPHA2 P29317 1/20 0.53
EPHA3 P29320 1/20 0.53
AKT1 P31749 1/20 0.53
MAPK9 P45984 1/20 0.53
GSK3A P49840 11/20 0.48
MAPK14 Q16539 11/20 0.48
SRC P12931 9/20 0.44
SYK P43405 8/20 0.44

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
SCHEMBL4453272 0.90 BRAF (0.48) BRAFABL1EGFRRAF1LYN
SCHEMBL7070212 0.84 MAPK14 (0.49) BRAFABL1EGFRRAF1LYN
SCHEMBL27578812 0.82 MAPK14 (0.44) BRAFABL1EGFRRAF1LYN
SCHEMBL27559838 0.82 MAPK14 (0.54) BRAFRAF1GSK3AMAPK14
SCHEMBL4464303 0.80 MAPK14 (0.42) BRAFABL1EGFRRAF1LYN
SCHEMBL6784615 0.79 ABL1 (0.50) BRAFABL1EGFRRAF1LYN
SCHEMBL4464429 0.79 PIK3CA (0.52) GSK3A
SCHEMBL4459778 0.79 MAPK14 (0.44) BRAFABL1EGFRRAF1LYN
SCHEMBL4091655 0.78 ABL1 (0.84) BRAFABL1EGFRRAF1LYN
SCHEMBL28747223 0.77 CLK2 (0.49) BRAFRAF1GSK3AMAPK14

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-20030220336-A1 Method of treating mucus hypersecretion BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-11-27 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-20030220336-A1 Method of treating mucus hypersecretion MUC1, CFTR, MAPKAPK5 BRAF 1286/4885ABL1 719/4885EGFR 176/4885

“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.