Bromide

Bromide

SCHEMBL868424

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/C[N+](C)(C)Cc1c([N+](=O)[O-])ncn1C.[Br-]

nearest known ligand 0.63

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
CHRM1 known ✓ P11229 1/20 0.61
EGFR P00533 19/20 0.63
ERBB2 P04626 11/20 0.61
ERBB4 Q15303 6/20 0.61
JAK3 P52333 2/20 0.61
GAK O14976 1/20 0.61
RIPK2 O43353 1/20 0.61
NR1I2 O75469 1/20 0.61
LCK P06239 1/20 0.61
ADORA3 P0DMS8 1/20 0.61
SRC P12931 1/20 0.61
DRD2 P14416 1/20 0.61
ADRA2C P18825 1/20 0.61
SLC6A2 P23975 1/20 0.61
MC3R P41968 1/20 0.61
SLC6A3 Q01959 1/20 0.61
PDE4D Q08499 1/20 0.61
KCNH2 Q12809 1/20 0.61
RIPK3 Q9Y572 1/20 0.61
ERBB3 P21860 1/20 0.58

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
SCHEMBL17503009 1.00 EGFR (0.63) EGFRERBB2ERBB4JAK3GAK
Bromide SCHEMBL868455 0.90 EGFR (0.67) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL17503015 0.90 EGFR (0.67) EGFRERBB2ERBB4GAKRIPK2
Trifluoroacetic Acid SCHEMBL868626 0.88 EGFR (0.64) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL17412737 0.87 EGFR (0.61) EGFRERBB2ERBB4JAK3GAK
Bromide SCHEMBL868128 0.86 EGFR (0.65) EGFRERBB2ERBB4JAK3GAK
SCHEMBL17503025 0.85 EGFR (0.64) EGFRERBB2ERBB4JAK3
Bromide SCHEMBL11902840 0.83 EGFR (0.68) EGFRERBB2ERBB4JAK3
Bromide SCHEMBL869044 0.82 EGFR (0.82) EGFRERBB2
Bromide SCHEMBL17817741 0.82 EGFR (0.63) EGFRERBB2ERBB4JAK3

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 11 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
US-20210346383-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING HER-DRIVEN CANCERS RAIN THERAPEUTICS INC. 2021-11-11 US disclosed
US-20200268759-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING HER-DRIVEN DRUG-RESISTANT CANCERS THE REGENTS OF THE UNIVERSITY OF COLORADO 2020-08-27 US disclosed
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-20160002222-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2016-01-07 US 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 (4 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 CHRM1 892/4885EGFR 48/4885ERBB2 7/4885
US-20200268759-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING HER-DRIVEN DRUG-RESISTANT CANCERS EGFR, BRCA1, ERBB2 CHRM1 4628/4885EGFR 1/4885ERBB2 3/4885
US-20160002222-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY NTRK3, TK1, TNNI3K CHRM1 907/4885EGFR 41/4885ERBB2 7/4885
US-20210346383-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING HER-DRIVEN CANCERS EGFR, VHL, MYC CHRM1 3391/4885EGFR 1/4885ERBB2 7/4885

“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.