Sugi Predict

Sugi Predict / Compounds / SCHEMBL2402187

SCHEMBL2402187

SCHEMBL2402187

CC(C)(C)NS(=O)(=O)c1cccc(-c2cn(-c3nc(-c4ccc(Cl)s4)cc(C(F)(F)F)n3)cn2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.36
▸ HPGD P15428 4/20 0.36
▸ POLB P06746 1/20 0.35
▸ KDM4E B2RXH2 4/20 0.35
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ JAK2 O60674 2/20 0.35
▸ RXRA P19793 1/20 0.35
▸ NR1H2 P55055 1/20 0.35
▸ NR1H3 Q13133 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ BRD4 O60885 2/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33

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
SCHEMBL3561188 0.88 ALDH1A1 (0.42) ALDH1A1HPGDPOLBKDM4ESMN1; SMN2
SCHEMBL3561032 0.87 MAPT (0.42) ALDH1A1HPGDPOLBKDM4ESMN1; SMN2
SCHEMBL2405286 0.87 PTGS2 (0.43) ALDH1A1HPGDPOLBKDM4ESMN1; SMN2
SCHEMBL3565406 0.86 HPGD (0.39) ALDH1A1HPGDPOLBKDM4ESMN1; SMN2
SCHEMBL3563604 0.84 KDM4E (0.43) ALDH1A1POLBKDM4ESMN1; SMN2KMT2A
SCHEMBL3562723 0.84 KIF18A (0.41) ALDH1A1HPGDPOLBKDM4ESMN1; SMN2
SCHEMBL3564848 0.83 JAK2 (0.38) ALDH1A1HPGDKDM4ESMN1; SMN2KMT2A
SCHEMBL2400731 0.83 JAK2 (0.41) HPGDKDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL3569622 0.82 ALDH1A1 (0.39) ALDH1A1HPGDPOLBKDM4ESMN1; SMN2
SCHEMBL3559836 0.82 SDHB (0.38) ALDH1A1HPGDKDM4ESMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415380-B2 Pyridine and pyrimidine derivatives as MGLUR2 antagonists HOFFMANN-LA ROCHE INC. (US) 2013-04-09 — — US disclosed
US-20110263615-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS GATTI MCARTHUR SILVIA 2011-10-27 — — US disclosed
US-8012986-B2 Pyridine and pyrimidine derivatives as MGLUR2 antagonists HOFFMANN-LA ROCHE INC. (US) 2011-09-06 — — US disclosed
EP-2142527-B1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-12-29 — — EP disclosed
EP-2142527-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-01-13 — — EP disclosed
US-20080280924-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS HOFFMAN-LA ROCHE, INC. 2008-11-13 — — US disclosed
WO-2008119689-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-10-09 — — 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-20110263615-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS GRM2, GRIN2B, GRM1 ALDH1A1 2980/4885HPGD 1806/4885POLB 3329/4885
US-20080280924-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS GRM2, GRIN2B, GRM1 ALDH1A1 2980/4885HPGD 1806/4885POLB 3329/4885

“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.