SCHEMBL6183629

SCHEMBL6183629

CNC(=O)c1cccc(C(NC(=O)Nc2c(C(C)C)cccc2C(C)C)C(c2ccccn2)C2CCCCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NMBR P28336 1/20 0.39
BRAF P15056 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
ACKR3 P25106 2/20 0.37
ROCK2 O75116 1/20 0.37
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
MET P08581 1/20 0.36
KDR P35968 1/20 0.36
MERTK Q12866 1/20 0.36

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
SCHEMBL6184297 0.91 NMBR (0.40) NMBR
SCHEMBL6182145 0.90 NMBR (0.39) NMBR
SCHEMBL6182341 0.80 NMBR (0.39) NMBRLMNAACKR3
SCHEMBL6802117 0.73 MEN1 (0.38) NMBRKMT2A
SCHEMBL3409844 0.69 NMBR (0.42) NMBRLMNAKMT2A
SCHEMBL3405543 0.67 NMBR (0.41) NMBR
SCHEMBL3404066 0.67 NMBR (0.41) NMBRLMNAKMT2A
SCHEMBL6181051 0.66 NMBR (0.53) NMBR
SCHEMBL6182113 0.66 NMBR (0.50) NMBR
SCHEMBL6183997 0.66 NMBR (0.41) NMBRLMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501800-A1 BOMBESIN ANTAGONISTS Warner-Lambert Company LLC (US) 2005-02-02 EP disclosed
US-20040063643-A1 Bombesin antagonists PFIZER INC. 2004-04-01 US disclosed
WO-2003092670-A1 BOMBESIN ANTAGONISTS WARNER-LAMBERT COMPANY LLC (US) 2003-11-13 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-20040063643-A1 Bombesin antagonists BRS3, NPSR1, GNRHR NMBR 211/4885BRAF 3271/4885LMNA 2660/4885

“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.