Sugi Predict

Sugi Predict / Compounds / SCHEMBL4716121

SCHEMBL4716121

SCHEMBL4716121

CCOC(=O)c1cc(-c2ccnc(-c3ccc(O[Si](C)(C)C(C)(C)C)cc3)c2)nn1CCNC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.42
▸ FAAH O00519 6/20 0.41
▸ TDP1 Q9NUW8 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ POLB P06746 2/20 0.39
▸ ADORA3 P0DMS8 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ APEX1 P27695 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ CTDSP1 Q9GZU7 1/20 0.35
▸ ACACB O00763 1/20 0.34
▸ ACACA Q13085 1/20 0.34
▸ BRD4 O60885 1/20 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
SCHEMBL4716369 0.87 SMN1; SMN2 (0.44) MAPTFAAHTDP1SMN1; SMN2POLB
SCHEMBL14188454 0.86 MAPT (0.46) MAPTFAAHTDP1SMN1; SMN2POLB
Hydrochloric Acid SCHEMBL4713525 0.85 MAPT (0.45) MAPTFAAHTDP1SMN1; SMN2POLB
SCHEMBL4712694 0.83 SMN1; SMN2 (0.45) MAPTFAAHTDP1SMN1; SMN2POLB
SCHEMBL4716286 0.83 SMN1; SMN2 (0.48) MAPTFAAHTDP1SMN1; SMN2POLB
SCHEMBL4760588 0.81 SMN1; SMN2 (0.47) MAPTFAAHTDP1SMN1; SMN2POLB
SCHEMBL4719835 0.81 MAPKAPK2 (0.55) MAPTFAAHTDP1SMN1; SMN2POLB
SCHEMBL20141716 0.80 SMN1; SMN2 (0.60) MAPTFAAHTDP1SMN1; SMN2POLB
SCHEMBL16270159 0.79 ADORA3 (0.39) MAPTADORA3ADORA2AALDH1A1BRD4
SCHEMBL4716135 0.79 SMN1; SMN2 (0.44) MAPTFAAHTDP1SMN1; SMN2POLB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS HANAU CATHLEEN E 2008-05-15 — — US disclosed
US-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS HANAU CATHLEEN E 2008-05-15 — — US disclosed
EP-1572682-A4 ACYCLIC PYRAZOLE COMPOUNDS PHARMACIA CORP (US) 2008-01-23 — — EP disclosed
EP-1572682-A2 ACYCLIC PYRAZOLE COMPOUNDS Pharmacia Corporation (US) 2005-09-14 — — EP disclosed
US-20040152739-A1 Acyclic pyrazole compounds for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-08-05 — — US disclosed
WO-2004058176-A2 ACYCLIC PYRAZOLE COMPOUNDS PHARMACIA CORPORATION (US) 2004-07-15 — — WO 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-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS MKNK2, MAPKAPK2, MAP3K2 MAPT 1363/4885FAAH 3247/4885TDP1 3535/4885
US-20040152739-A1 Acyclic pyrazole compounds for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MAPKAPK2, MAP3K2, MAP4K2 MAPT 2038/4885FAAH 2362/4885TDP1 3706/4885

“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.