Sugi Predict

Sugi Predict / Compounds / Bromide

Bromide

Bromide

SCHEMBL842385

Br.Cc1nc(Oc2ccccc2)c2nc(N)n(CC(C)C)c2c1C

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4

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
▸ ADRA1D known ✓ P25100 1/20 0.33
▸ ADRA1A known ✓ P35348 1/20 0.33
▸ RPS6KA5 O75582 1/20 0.34
▸ TLR7 Q9NYK1 4/20 0.33
▸ LMNA P02545 3/20 0.33
▸ ADORA2A P29274 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ HRH2 P25021 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ NUDT1 P36639 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PRKACA P17612 1/20 0.32
▸ RPS6KB1 P23443 1/20 0.32
▸ GSK3B P49841 1/20 0.32

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
SCHEMBL5124491 0.83 MEN1 (0.33) TLR7LMNAMEN1KMT2AALDH1A1
SCHEMBL842763 0.81 MEN1 (0.34) RPS6KA5TLR7LMNAMEN1KMT2A
SCHEMBL4792276 0.74 LMNA (0.35) RPS6KA5TLR7LMNAMEN1KMT2A
SCHEMBL842243 0.74 PDE4D (0.37) TLR7LMNAADORA2APOLBHRH2
SCHEMBL4793644 0.72 ALDH1A1 (0.35) RPS6KA5LMNAPOLBMEN1KMT2A
SCHEMBL4795253 0.71 ALDH1A1 (0.51) LMNAPOLBALDH1A1SMN1; SMN2HTT
SCHEMBL4793826 0.69 LMNA (0.39) RPS6KA5TLR7LMNAMEN1KMT2A
SCHEMBL4793191 0.68 TLR7 (0.40) RPS6KA5TLR7ADORA2AALDH1A1ADORA3
SCHEMBL4791598 0.68 ALDH1A1 (0.37) TLR7LMNAMEN1KMT2AALDH1A1
SCHEMBL5337859 0.68 L3MBTL1 (0.38) ALDH1A1HTTKDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143270-B2 2-amino 1H-in-imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-27 — — US disclosed
EP-1784180-A4 2-AMINO 1H IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2009-07-22 — — EP disclosed
US-20090023720-A1 2-Amino 1H-Imidazo Ring Systems and Methods 3M INNOVATIVE PROPERTIES COMPANY 2009-01-22 — — US disclosed
EP-1784180-A2 2-AMINO 1H IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-05-16 — — EP disclosed
WO-2006029115-A2 2-AMINO 1H IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-16 — — 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-20090023720-A1 2-Amino 1H-Imidazo Ring Systems and Methods IL2, IL2RA, IL4I1 ADRA1D 849/4885ADRA1A 930/4885RPS6KA5 874/4885

“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.