Sugi Predict

Sugi Predict / Compounds / SCHEMBL2197341

SCHEMBL2197341

SCHEMBL2197341

Cc1c(C(=O)N2CCC(N3CCOCC3)CC2)nn(C)c1-c1cccc(-c2cc3ccccc3o2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 7/20 0.51
▸ MKNK2 Q9HBH9 7/20 0.51
▸ EIF4E P06730 6/20 0.51
▸ ACACB O00763 3/20 0.42
▸ ACACA Q13085 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ L3MBTL3 Q96JM7 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ CBX7 O95931 1/20 0.38
▸ CDYL2 Q8N8U2 1/20 0.38

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
SCHEMBL2197343 0.88 EIF4E (0.51) MKNK1MKNK2EIF4EACACBACACA
SCHEMBL2201254 0.81 ALDH1A1 (0.41) MKNK1MKNK2EIF4EALDH1A1KDM4E
SCHEMBL2230472 0.81 POLR1A (0.41) MKNK1MKNK2EIF4EALDH1A1NPC1
SCHEMBL2201671 0.80 DRD3 (0.39) MKNK1MKNK2EIF4EALDH1A1KDM4E
SCHEMBL2202072 0.79 DRD2 (0.46) MKNK1MKNK2EIF4EALDH1A1KDM4E
SCHEMBL2200710 0.79 GRIN2B (0.43) MKNK1MKNK2EIF4EALDH1A1KDM4E
SCHEMBL2199009 0.78 GRM5 (0.46) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL2203141 0.74 MAPT (0.48) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL2198724 0.72 TRPV4 (0.45) ACACBACACAHPGDL3MBTL1L3MBTL3
SCHEMBL2201258 0.69 ALDH1A1 (0.42) MKNK1MKNK2EIF4EALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977358-B2 Pyrazol derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-12 — — US disclosed
US-7977358-B2 Pyrazol derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-12 — — US disclosed
US-7977358-B2 Pyrazol derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-12 — — US disclosed
EP-2182953-A2 NEW PYRAZOL DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-05-12 — — EP disclosed
US-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 — — US disclosed
US-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 — — US disclosed
US-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 — — US disclosed
WO-2009013211-A2 NEW PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 — — WO disclosed
WO-2009013211-A2 NEW PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 — — 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 (1 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-20090029963-A1 PYRAZOL DERIVATIVES CCR1, CCR3, CCRL2 MKNK1 3166/4885MKNK2 2220/4885EIF4E 3310/4885

“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.