SCHEMBL22464626

SCHEMBL22464626

CC(C)n1nc(N2CCC(C(=O)O)C2)c2cnc(Br)cc21

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 13/20 0.40
▸ KDM4E B2RXH2 3/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ EGFR P00533 3/20 0.37
▸ OGFRL1 Q5TC84 1/20 0.35
▸ 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
SCHEMBL16339316 0.84 EGFR (0.42) EGFR
SCHEMBL16374330 0.82 EGFR (0.39) EGFR
SCHEMBL16339089 0.78 POLB (0.38) NOTUMKDM4EHSD17B10MEN1ALDH1A1
SCHEMBL22464679 0.74 EGFR (0.72) EGFR
SCHEMBL16339848 0.69 IDH1 (0.40) EGFR
SCHEMBL22489255 0.69 KDM4E (0.40) KDM4EMEN1KMT2AEGFR
SCHEMBL16339352 0.67 EGFR (0.34) EGFR
SCHEMBL16339223 0.66 NLRP3 (0.32) —
SCHEMBL16339702 0.64 KDM4E (0.43) NOTUMKDM4EHSD17B10USP2HPGD
SCHEMBL16339091 0.63 EGFR (0.35) KDM4EHPGDMEN1ALDH1A1KMT2A

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-20200308171-A1 BIFUNCTIONAL INHIBITORS WITH EGFR HAVING A E3 UBIQUITIN LIGASE MOIETY HOFFMANN-LA ROCHE INC. (US) 2020-10-01 — — 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-20200308171-A1 BIFUNCTIONAL INHIBITORS WITH EGFR HAVING A E3 UBIQUITIN LIGASE MOIETY EGFR, ERBB2, MDM2 NOTUM 2706/4885KDM4E 1423/4885HSD17B10 2909/4885

“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.

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