SCHEMBL18239607

SCHEMBL18239607

COc1cc(F)c([N+](=O)[O-])cc1Nc1nccc(-n2c3c(c4ccccc42)CC(O)CC3)n1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.39
MKNK2 Q9HBH9 4/20 0.37
ALK Q9UM73 2/20 0.36
IGF1R P08069 1/20 0.36
PLK1 P53350 1/20 0.36
MKNK1 Q9BUB5 2/20 0.35
KDR P35968 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
PTK2 Q05397 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
SCHEMBL18239604 0.87 EGFR (0.48) EGFRALKKDR
SCHEMBL23945054 0.86 EGFR (0.40) EGFRALKKDR
SCHEMBL18239648 0.81 EGFR (0.42) EGFRMKNK2MKNK1
SCHEMBL19337257 0.78 PIK3CA (0.41) EGFRMKNK2ALKIGF1RPLK1
SCHEMBL18386752 0.78 EGFR (0.39) EGFRMKNK2MKNK1KDRPTK2
SCHEMBL17553836 0.78 BMI1 (0.39) EGFRPLK1KDRPTK2
SCHEMBL18387037 0.78 EGFR (0.39) EGFRMKNK2MKNK1KDRPTK2
SCHEMBL17683373 0.77 KDR (0.39) EGFRMKNK2ALKIGF1RMKNK1
SCHEMBL18239632 0.77 EGFR (0.48) EGFRALKKDR
SCHEMBL19337165 0.77 EGFR (0.40) EGFRMKNK2ALKIGF1RMKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210323976-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMACEUTICALS, INC. 2021-10-21 US disclosed
WO-2016183278-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMACEUTICALS, INC. (US) 2016-11-17 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-20210323976-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ERBB2, EGFR, ERBB3 EGFR 2/4885MKNK2 90/4885ALK 113/4885

“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.