SCHEMBL22861238

SCHEMBL22861238

COC(=O)c1cc(-c2cn[nH]c2)ccc1Oc1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 12/20 0.52
▸ ROCK1 Q13464 10/20 0.52
▸ FPR2 P25090 1/20 0.50
▸ SCN9A Q15858 1/20 0.50
▸ LRRK2 Q5S007 1/20 0.46
▸ PLA2G2A P14555 1/20 0.45
▸ SLC6A4 P31645 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ CASP3 P42574 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ SENP8 Q96LD8 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43
▸ SENP6 Q9GZR1 1/20 0.43
▸ AXL P30530 1/20 0.43
▸ HPGD P15428 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CASP1 P29466 1/20 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
SCHEMBL22861287 0.89 ROCK2 (0.43) ROCK2ROCK1RAB9A
SCHEMBL22861324 0.88 ROCK2 (0.47) ROCK2ROCK1HSD17B10
SCHEMBL22861266 0.88 ROCK2 (0.48) ROCK2ROCK1
SCHEMBL21359486 0.87 MIF (0.51) ROCK2ROCK1SCN9ALRRK2
SCHEMBL21359320 0.84 MIF (0.52) ROCK2ROCK1SLC6A4SLC6A3
SCHEMBL22319363 0.84 PTGER4 (0.58) ROCK2ROCK1LRRK2
SCHEMBL1647500 0.83 LRRK2 (0.66) ROCK2ROCK1LRRK2ALDH1A1
SCHEMBL22861282 0.82 ROCK2 (0.47) ROCK2ROCK1
SCHEMBL22319399 0.82 SLC6A4 (0.52) FPR2SCN9APLA2G2ASLC6A4SLC6A3
SCHEMBL22861315 0.81 ROCK2 (0.44) ROCK2ROCK1

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 ROCK2 1167/4885ROCK1 1458/4885FPR2 241/4885
US-20230057076-A1 Pyrazole-Containing Macrophage Migration Inhibitory Factor Inhibitors MIF, MMP12, CSF1R ROCK2 1259/4885ROCK1 1537/4885FPR2 256/4885

“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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