Sugi Predict

Sugi Predict / Compounds / SCHEMBL5504200

SCHEMBL5504200

SCHEMBL5504200

O=C1N=C(N[C@@H](CO)c2ccccc2)S/C1=C\Cc1ccc2nccc(N3CCOCC3)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 4/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ EGFR P00533 2/20 0.32
▸ MAPT P10636 3/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ HCRTR1 O43613 1/20 0.32
▸ PDGFRB P09619 2/20 0.32
▸ BMPR1B O00238 1/20 0.32
▸ KIT P10721 1/20 0.32
▸ PDGFRA P16234 1/20 0.32
▸ BMPR1A P36894 1/20 0.32
▸ ACVR1B P36896 1/20 0.32
▸ TGFBR1 P36897 1/20 0.32
▸ ACVRL1 P37023 1/20 0.32
▸ ACVR1 Q04771 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32

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
SCHEMBL14437237 0.88 MEN1 (0.37) MAPK1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5509030 0.82 EGFR (0.38) EGFR
SCHEMBL5509144 0.81 EGFR (0.40) ALDH1A1SMN1; SMN2MEN1KMT2AEGFR
SCHEMBL3025813 0.81 EGFR (0.37) MAPK1EGFR
SCHEMBL5509527 0.79 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL5506217 0.79 MAPK1 (0.35) MAPK1EGFR
SCHEMBL5507852 0.78 GUCY1B2 (0.37) —
SCHEMBL14437205 0.69 EGFR (0.39) ALDH1A1MEN1KMT2AEGFRMAPT
SCHEMBL13898543 0.68 MEN1 (0.42) MAPK1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL13233381 0.68 MEN1 (0.42) MAPK1ALDH1A1SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7253285-B2 Thiazolinone 4-monosubstituted quinolines HOFFMANN-LA ROCHE INC. (US) 2007-08-07 — — US claimed
EP-1797085-A1 THIAZOLINONE 4-MONOSUBSTITUTED QUINOLINES F. Hoffmann-Roche AG (CH) 2007-06-20 — — EP claimed
US-20060063805-A1 Thiazolinone 4-monosubstituted quinolines CHEN LI 2006-03-23 — — US claimed
WO-2006029861-A1 THIAZOLINONE 4-MONOSUBSTITUTED QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2006-03-23 — — WO claimed
US-7253285-B2 Thiazolinone 4-monosubstituted quinolines HOFFMANN-LA ROCHE INC. (US) 2007-08-07 — — US disclosed
EP-1797085-A1 THIAZOLINONE 4-MONOSUBSTITUTED QUINOLINES F. Hoffmann-Roche AG (CH) 2007-06-20 — — EP disclosed
US-20060063805-A1 Thiazolinone 4-monosubstituted quinolines CHEN LI 2006-03-23 — — US disclosed
WO-2006029861-A1 THIAZOLINONE 4-MONOSUBSTITUTED QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2006-03-23 — — 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-20060063805-A1 Thiazolinone 4-monosubstituted quinolines CDK1, CDK14, CDK17 MAPK1 640/4885ALDH1A1 3777/4885SMN1; SMN2 3097/4885

“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.