Bromide

Bromide

SCHEMBL19437532

Br.CCn1c(N)nc2cc(C(N)=O)cc(C)c21

nearest known ligand 0.49

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 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.49
▸ ACSS2 Q9NR19 2/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ STING1 Q86WV6 6/20 0.37
▸ TLR8 Q9NR97 1/20 0.37
▸ EEF2K O00418 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ RPS6KA5 O75582 1/20 0.36
▸ PTGER4 P35408 2/20 0.35
▸ S1PR1 P21453 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ TSHR P16473 1/20 0.35

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
SCHEMBL19437507 0.88 TLR8 (0.45) KMT2ACYP1A2CYP2D6STING1TLR8
SCHEMBL19437550 0.85 TLR8 (0.52) KMT2ASTING1TLR8JAK2JAK1
SCHEMBL19437658 0.81 STING1 (0.52) KMT2ASTING1
Bromide SCHEMBL19436512 0.80 KMT2A (0.52) KMT2ASTING1TLR8JAK2JAK1
SCHEMBL22136271 0.78 TLR7 (0.43) STING1TLR8
SCHEMBL19437587 0.78 TLR8 (0.42) CYP2D6STING1TLR8JAK2JAK1
SCHEMBL22121411 0.77 KMT2A (0.52) KMT2APTGER4JAK2JAK1TYK2
SCHEMBL21643841 0.77 STING1 (0.42) KMT2ASTING1
SCHEMBL21643845 0.77 STING1 (0.42) KMT2ASTING1
SCHEMBL19437503 0.74 KMT2A (0.74) KMT2ACYP1A2CYP2D6HTTKDM4E

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-10975287-B2 Heterocyclic amides useful as protein modulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED 2021-04-13 — — US disclosed
US-20200325126-A1 HETEROCYCLIC AMIDES USEFUL AS PROTEIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-10-15 — — US disclosed
EP-3440072-B1 HETEROCYCLIC AMIDES USEFUL AS PROTEIN MODULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-01-29 — — EP disclosed
EP-3440072-A1 HETEROCYCLIC AMIDES USEFUL AS PROTEIN MODULATORS GlaxoSmithKline Intellectual Property Development Ltd (GB) 2019-02-13 — — EP disclosed
WO-2017175156-A1 HETEROCYCLIC AMIDES USEFUL AS PROTEIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-10-12 — — 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 (2 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-20200325126-A1 HETEROCYCLIC AMIDES USEFUL AS PROTEIN MODULATORS ARGLU1, G3BP1, G3BP2 KMT2A 2117/4885ACSS2 336/4885CYP1A2 3565/4885
US-10975287-B2 Heterocyclic amides useful as protein modulators ARGLU1, G3BP1, G3BP2 KMT2A 2117/4885ACSS2 336/4885CYP1A2 3565/4885

“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.

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