SCHEMBL20625045

SCHEMBL20625045

BrCc1ncc2ccccc2c1-c1ccc(OCc2ccccc2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 1/20 0.42
▸ GABRG2 P18507 2/20 0.39
▸ GABRB3 P28472 2/20 0.39
▸ GABRA5 P31644 2/20 0.39
▸ GABRA3 P34903 2/20 0.39
▸ GABRP O00591 1/20 0.39
▸ GABRD O14764 1/20 0.39
▸ GABRA1 P14867 1/20 0.39
▸ GABRB1 P18505 1/20 0.39
▸ GABRA2 P47869 1/20 0.39
▸ GABRB2 P47870 1/20 0.39
▸ GABRA4 P48169 1/20 0.39
▸ GABRE P78334 1/20 0.39
▸ GABRA6 Q16445 1/20 0.39
▸ GABRG1 Q8N1C3 1/20 0.39
▸ GABRG3 Q99928 1/20 0.39
▸ GABRQ Q9UN88 1/20 0.39
▸ PKM P14618 1/20 0.36
▸ PDE5A O76074 1/20 0.36
▸ JAK3 P52333 1/20 0.36

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
SCHEMBL18464730 0.82 GABRP (0.40) GABRG2GABRB3GABRA5GABRA3GABRP
SCHEMBL18425832 0.77 DHODH (0.40) GRM5
SCHEMBL18464647 0.74 C5AR1 (0.39) JAK3BRD4CREBBP
SCHEMBL18464729 0.73 CHEK1 (0.37) GABRG2GABRB3GABRA5GABRA3GABRP
SCHEMBL18464716 0.73 CYP1A2 (0.43) —
SCHEMBL28858825 0.72 TRPM8 (0.31) —
SCHEMBL18425748 0.72 PIK3CD (0.37) JAK3
SCHEMBL18464720 0.71 CYP11B1 (0.37) GRM5
SCHEMBL16885188 0.71 TRPA1 (0.45) LOXL2GABRG2GABRB3GABRA5GABRA3
SCHEMBL18464633 0.70 GPR84 (0.39) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3328859-B1 3-((4-ISOQUINOLIN-3-YL)METHYL)-1H-IMIDAZO[4,5-C]PYRIDIN-2(3H)-ONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF REPLICATION OF THE RESPIRATORY SYNCYTIAL VIRUS (RSV) BOEHRINGER INGELHEIM INT (DE) 2020-06-03 — — EP disclosed
US-20190002436-A1 RESPIRATORY SYNCYTIAL VIRUS INHIBITORS MEDIVIR AB (SE) 2019-01-03 — — 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-20190002436-A1 RESPIRATORY SYNCYTIAL VIRUS INHIBITORS NR0B1, NR1I3, SCARB1 LOXL2 4511/4885GABRG2 1128/4885GABRB3 658/4885

“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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