Bromide

Bromide

SCHEMBL867611

CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/C[N+](C)(C)Cc1c([N+](=O)[O-])ncn1C.[Br-]

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1

The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.67
ERBB2 P04626 7/20 0.65
STK25 O00506 1/20 0.65
CIT O14578 1/20 0.65
CHEK1 O14757 1/20 0.65
GAK O14976 1/20 0.65
DAPK3 O43293 1/20 0.65
JAK2 O60674 1/20 0.65
STK17B O94768 1/20 0.65
STK10 O94804 1/20 0.65
MAP4K4 O95819 1/20 0.65
ABL1 P00519 1/20 0.65
LCK P06239 1/20 0.65
FYN P06241 1/20 0.65
FES P07332 1/20 0.65
CSF1R P07333 1/20 0.65
YES1 P07947 1/20 0.65
LYN P07948 1/20 0.65
MET P08581 1/20 0.65
HCK P08631 1/20 0.65

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
SCHEMBL17503010 1.00 EGFR (0.67) EGFRERBB2STK25CITCHEK1
Trifluoroacetic Acid SCHEMBL17503023 0.97 EGFR (0.63) EGFRERBB2STK25CITCHEK1
SCHEMBL17503056 0.89 EGFR (0.68) EGFRERBB2STK25CHEK1GAK
Bromide SCHEMBL869439 0.89 EGFR (0.68) EGFRERBB2STK25CHEK1GAK
Trifluoroacetic Acid SCHEMBL868416 0.87 EGFR (0.65) EGFRERBB2STK25CHEK1GAK
Bromide SCHEMBL868424 0.82 EGFR (0.63) EGFRERBB2GAKLCKSRC
SCHEMBL17503009 0.82 EGFR (0.63) EGFRERBB2GAKLCKSRC
SCHEMBL17559179 0.81 EGFR (0.84) EGFRERBB2STK25CITCHEK1
SCHEMBL17559176 0.81 EGFR (0.84) EGFRERBB2STK25CITCHEK1
SCHEMBL6466768 0.81 EGFR (0.86) EGFRERBB2STK25CITCHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3031807-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY Auckland UniServices Limited (NZ) 2016-06-15 EP claimed
EP-2406262-B1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LTD (NZ) 2016-02-17 EP claimed
US-9073916-B2 Prodrug forms of kinase inhibitors and their use in therapy AUCKLAND UNISERVICES LIMITED (NZ) 2015-07-07 US claimed
US-20120077811-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2012-03-29 US claimed
EP-3031807-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY Auckland UniServices Limited (NZ) 2016-06-15 EP disclosed
EP-2406262-B1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LTD (NZ) 2016-02-17 EP disclosed
US-9073916-B2 Prodrug forms of kinase inhibitors and their use in therapy AUCKLAND UNISERVICES LIMITED (NZ) 2015-07-07 US disclosed
US-20120077811-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2012-03-29 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-20120077811-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY NTRK3, TK1, TNNI3K EGFR 48/4885ERBB2 7/4885STK25 124/4885

“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.