SCHEMBL23077724

SCHEMBL23077724

BC(B)(O)n1nnc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ ATM Q13315 1/20 0.52
▸ DGAT1 O75907 1/20 0.47
▸ SLC9A1 P19634 7/20 0.47
▸ KEAP1 Q14145 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ THPO P40225 1/20 0.47
▸ CYP4Z1 Q86W10 1/20 0.47
▸ KCNMA1 Q12791 3/20 0.43
▸ MGAM O43451 2/20 0.42
▸ AMY1A P0DUB6 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ SI P14410 2/20 0.42
▸ MGAM2 Q2M2H8 2/20 0.42

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
SCHEMBL12640790 0.81 POLB (0.44) POLBMAPK1ATMDGAT1SLC9A1
SCHEMBL8631035 0.81 MAPT (0.52) POLBMAPK1ATMDGAT1SLC9A1
SCHEMBL241996 0.77 SLC9A1 (0.51) POLBMAPK1ATMDGAT1SLC9A1
SCHEMBL7760804 0.76 SLC9A1 (0.55) POLBMAPK1ATMDGAT1SLC9A1
SCHEMBL6905682 0.76 SLC9A1 (0.50) POLBMAPK1ATMDGAT1SLC9A1
SCHEMBL5437514 0.76 SLC9A1 (0.50) POLBMAPK1ATMDGAT1SLC9A1
SCHEMBL8974372 0.74 SLC9A1 (0.48) POLBMAPK1ATMDGAT1SLC9A1
SCHEMBL10607208 0.73 SLC9A1 (0.52) POLBMAPK1ATMDGAT1SLC9A1
SCHEMBL21220894 0.73 SLC9A1 (0.52) POLBMAPK1ATMDGAT1SLC9A1
SCHEMBL13604172 0.73 GAA (0.50) POLBMAPK1ATMDGAT1SLC9A1

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
US-11485707-B2 Deuterated compounds as rock inhibitors FOCHON PHARMACEUTICALS, LTD. (CN) 2022-11-01 — — US disclosed
US-20210070711-A1 DEUTERATED COMPOUNDS AS ROCK INHIBITORS FOCHON PHARMACEUTICALS, LTD. (CN) 2021-03-11 — — 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 (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-20210070711-A1 DEUTERATED COMPOUNDS AS ROCK INHIBITORS ROCK1, ROCK2, RHOA POLB 3243/4885MAPK1 76/4885ATM 2041/4885
US-11485707-B2 Deuterated compounds as rock inhibitors ROCK1, ROCK2, RHOA POLB 3243/4885MAPK1 76/4885ATM 2041/4885

“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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