SCHEMBL29914092

SCHEMBL29914092

BrC(c1ccccn1)c1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.54
SLC6A4 P31645 2/20 0.54
SLC6A3 Q01959 1/20 0.54
KCNA5 P22460 5/20 0.47
KCNE1 P15382 2/20 0.47
TSHR P16473 1/20 0.47
NPSR1 Q6W5P4 1/20 0.45
KCNH2 Q12809 1/20 0.44
KDM4E B2RXH2 2/20 0.43
CYP1A2 P05177 2/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
CCR1 P32246 1/20 0.43
CCR5 P51681 1/20 0.43
CCR8 P51685 1/20 0.43
METAP1 P53582 1/20 0.43
BLM P54132 1/20 0.43
HIF1A Q16665 1/20 0.43
DOHH Q9BU89 1/20 0.43
P4HTM Q9NXG6 1/20 0.43

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
SCHEMBL3049830 1.00 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3KCNA5KCNE1
Bromide SCHEMBL18632030 0.97 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3KCNA5KCNE1
SCHEMBL4316276 0.86 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3KCNA5KCNE1
SCHEMBL331474 0.84
SCHEMBL4099842 0.82
SCHEMBL9185638 0.81 SLC6A3 (0.56) SLC6A2SLC6A4SLC6A3KCNA5KCNE1
SCHEMBL1582061 0.80
SCHEMBL6985204 0.80
SCHEMBL6985202 0.80
SCHEMBL29404365 0.80

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
US-12116365-B2 Heterocyclic compounds and uses thereof Opna Bio SA (CH) 2024-10-15 US disclosed
US-20220356183-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Opna Bio SA (CH) 2022-11-10 US disclosed
EP-4071149-A2 HETEROCYCLIC COMPOUNDS AND USES THEREOF Opna Immuno Oncology, SA (CH) 2022-10-12 EP 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-12116365-B2 Heterocyclic compounds and uses thereof CYP11B2, CYP11B1, UGT2B7 SLC6A2 2213/4885SLC6A4 3035/4885SLC6A3 2971/4885
US-20220356183-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF CYP11B2, CYP11B1, UGT2B7 SLC6A2 2213/4885SLC6A4 3035/4885SLC6A3 2971/4885

“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.