SCHEMBL23988456

SCHEMBL23988456

COc1ccnc(CC(C)(O)c2nc3cc(-n4cccc4)ccc3[nH]2)c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP1A1 P05023 7/20 0.36
ATP1B1 P05026 7/20 0.36
ATP1A3 P13637 7/20 0.36
ATP1B2 P14415 7/20 0.36
ATP4A P20648 7/20 0.36
ATP1A2 P50993 7/20 0.36
ATP4B P51164 7/20 0.36
ATP1B3 P54709 7/20 0.36
FXYD2 P54710 7/20 0.36
ATP1A4 Q13733 7/20 0.36
CYP2C9 P11712 4/20 0.34
KMT2A Q03164 4/20 0.34
WDR5 P61964 3/20 0.34
ENGASE Q8NFI3 3/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 3/20 0.34
HPGD P15428 3/20 0.34
DDAH1 O94760 2/20 0.34
ADORA3 P0DMS8 2/20 0.34
MAPT P10636 2/20 0.34

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
SCHEMBL23988496 0.91 CYP2C9 (0.45) ATP1A1ATP1B1ATP1A3ATP1B2ATP4A
SCHEMBL23988590 0.91 ATP4A (0.36) ATP4AATP4BCYP2C9KMT2AALDH1A1
SCHEMBL23988391 0.89 CYP2C9 (0.46) ATP1A1ATP1B1ATP1A3ATP1B2ATP4A
SCHEMBL23988466 0.84 ATP4A (0.42) ATP1A1ATP1B1ATP1A3ATP1B2ATP4A
SCHEMBL23988497 0.84 KMT2A (0.41) ATP1A1ATP1B1ATP1A3ATP1B2ATP4A
SCHEMBL23988366 0.83 CYP2C9 (0.47) ATP1A1ATP1B1ATP1A3ATP1B2ATP4A
SCHEMBL12359789 0.80 ATP1A1 (0.38) ATP1A1ATP1B1ATP1A3ATP1B2ATP4A
SCHEMBL23988587 0.80 ATP4A (0.45) ATP1A1ATP1B1ATP1A3ATP1B2ATP4A
SCHEMBL23988280 0.80 ATP4A (0.53) ATP1A1ATP1B1ATP1A3ATP1B2ATP4A
SCHEMBL23988355 0.79 ATP4A (0.38) ATP1A1ATP1B1ATP1A3ATP1B2ATP4A

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-20220202796-A1 CXCL10 Inhibitors LAPKO INC, dba AFECTA PHARMACEUTICALS 2022-06-30 US disclosed
US-20210338650-A1 CXCL10 Inhibitors AFECTA PHARMACEUTICALS, INC. (US) 2021-11-04 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-20220202796-A1 CXCL10 Inhibitors CXCL10, CCL5, CCL11 ATP1A1 4691/4885ATP1B1 4715/4885ATP1A3 4838/4885
US-20210338650-A1 CXCL10 Inhibitors CXCL10, CCL5, CCL11 ATP1A1 4691/4885ATP1B1 4715/4885ATP1A3 4838/4885

“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.