SCHEMBL22489255

SCHEMBL22489255

COC(=O)C1CCN(c2cn(C(C)C)c3cc(Br)ncc23)C1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.40
▸ EGFR P00533 2/20 0.39
▸ TMPRSS15 P98073 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ OPRK1 P41145 6/20 0.34
▸ MAPT P10636 3/20 0.34
▸ NEK2 P51955 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
SCHEMBL22464626 0.69 NOTUM (0.40) KDM4EEGFRMEN1KMT2A
SCHEMBL15742163 0.68 HCAR3 (0.37) KDM4EEGFRKMT2A
SCHEMBL24837942 0.67 KDM4E (0.65) KDM4ELMNAMEN1KMT2ASMN1; SMN2
SCHEMBL15742078 0.67 EGFR (0.45) EGFR
SCHEMBL22680102 0.66 NOTUM (0.42) KDM4ELMNAMEN1KMT2ASMN1; SMN2
SCHEMBL22680304 0.66 KDM4E (0.48) KDM4ETMPRSS15LMNAMEN1KMT2A
SCHEMBL29429480 0.66 KDM4E (0.48) KDM4ETMPRSS15LMNAMEN1KMT2A
SCHEMBL28601851 0.66 KDM4E (0.48) KDM4ETMPRSS15LMNAMEN1KMT2A
SCHEMBL15742080 0.66 EGFR (0.55) EGFROPRK1
SCHEMBL6103200 0.65 SMN1; SMN2 (0.44) KDM4ELMNAMEN1KMT2ASMN1; SMN2

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 KDM4E 1423/4885EGFR 1/4885TMPRSS15 552/4885

“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.

Send feedback