SCHEMBL22861322

SCHEMBL22861322

COC(=O)c1cc(-c2cn[nH]c2)ccc1Nc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ ALK Q9UM73 1/20 0.53
▸ ROCK2 O75116 13/20 0.52
▸ NR4A2 P43354 1/20 0.46
▸ MELK Q14680 1/20 0.46
▸ ROCK1 Q13464 8/20 0.44
▸ MYLK4 Q86YV6 1/20 0.43
▸ MCL1 Q07820 1/20 0.43
▸ AKT1 P31749 1/20 0.43
▸ MAP3K5 Q99683 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
SCHEMBL21359548 0.89 ALK (0.56) MAPTALKROCK2MELKROCK1
SCHEMBL22861327 0.82 NR4A2 (0.53) ROCK2NR4A2ROCK1AKT1
SCHEMBL22861324 0.81 ROCK2 (0.47) ROCK2NR4A2ROCK1
SCHEMBL19029605 0.77 ROCK2 (0.50) MAPTROCK2NR4A2ROCK1
SCHEMBL22861315 0.76 ROCK2 (0.44) ROCK2NR4A2ROCK1
SCHEMBL22861323 0.76 SLC6A3 (0.64) ROCK2NR4A2ROCK1
SCHEMBL8529851 0.75 MAPT (0.74) MAPTALOX15
SCHEMBL19626172 0.74 MAPT (0.69) MAPTALOX15
SCHEMBL30041690 0.74 SLC6A3 (0.56) ROCK2ROCK1AKT1
SCHEMBL21359320 0.74 MIF (0.52) ROCK2MELKROCK1

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 MAPT 3069/4885ALOX15 1955/4885ALK 4572/4885
US-20230057076-A1 Pyrazole-Containing Macrophage Migration Inhibitory Factor Inhibitors MIF, MMP12, CSF1R MAPT 2829/4885ALOX15 1989/4885ALK 4684/4885

“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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