SCHEMBL22861263

SCHEMBL22861263

COC(=O)c1cc(-c2cn[nH]c2)ccc1N(C)c1ccc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 2/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ SLC6A4 P31645 1/20 0.46
▸ ROCK2 O75116 17/20 0.44
▸ ALPL P05186 1/20 0.42
▸ ROCK1 Q13464 13/20 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
SCHEMBL21359495 0.89 ROCK2 (0.43) ROCK2ROCK1
SCHEMBL22861323 0.81 SLC6A3 (0.64) SLC6A3SLC6A2SLC6A4ROCK2ALPL
SCHEMBL21359274 0.78 SLC6A3 (0.45) SLC6A3SLC6A2SLC6A4
SCHEMBL21359320 0.78 MIF (0.52) SLC6A3SLC6A2SLC6A4ROCK2ALPL
SCHEMBL22861327 0.74 NR4A2 (0.53) SLC6A3SLC6A4ROCK2ROCK1
SCHEMBL22861324 0.72 ROCK2 (0.47) ROCK2ROCK1
SCHEMBL22861388 0.72 ROCK2 (0.48) SLC6A3SLC6A2SLC6A4ROCK2ROCK1
SCHEMBL22861320 0.72 DHODH (0.45) SLC6A3SLC6A2SLC6A4ROCK2ROCK1
SCHEMBL781536 0.71 ROCK2 (0.40) ROCK2
SCHEMBL2458568 0.71 AKT2 (0.59) ROCK2

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-20230057076-A1 Pyrazole-Containing Macrophage Migration Inhibitory Factor Inhibitors UNIV YALE (US) 2023-02-23 — — US disclosed
US-20210002264-A1 Pyrazole-Containing Macrophage Migration Inhibitory Factor Inhibitors UNIV YALE (US) 2021-01-07 — — 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-20210002264-A1 Pyrazole-Containing Macrophage Migration Inhibitory Factor Inhibitors MIF, MMP12, CSF1R SLC6A3 1938/4885SLC6A2 2898/4885SLC6A4 2605/4885
US-20230057076-A1 Pyrazole-Containing Macrophage Migration Inhibitory Factor Inhibitors MIF, MMP12, CSF1R SLC6A3 1791/4885SLC6A2 2762/4885SLC6A4 2601/4885

“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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