SCHEMBL4960465

SCHEMBL4960465

O=C1CSC(NC(CO)c2ccccc2)=N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.44
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
EGFR P00533 6/20 0.38
MAN2B1 O00754 2/20 0.37
RPS6KB1 P23443 3/20 0.37
AURKA O14965 2/20 0.37
RIPK1 Q13546 1/20 0.37
ROCK2 O75116 3/20 0.36
ROCK1 Q13464 3/20 0.36
MAPK13 O15264 1/20 0.36
RPS6KA5 O75582 1/20 0.36
MAP4K4 O95819 1/20 0.36
PAK4 O96013 1/20 0.36
PRKCG P05129 1/20 0.36
CDK1 P06493 1/20 0.36
PRKACA P17612 1/20 0.36
CDK2 P24941 1/20 0.36
MAPK1 P28482 1/20 0.36
AKT1 P31749 1/20 0.36

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
SCHEMBL3881981 1.00 MAPKAPK2 (0.44) MAPKAPK2CYP1A2POLBEGFRMAN2B1
SCHEMBL14272149 0.82 EGFR (0.41) CYP1A2POLBEGFRRPS6KB1AURKA
SCHEMBL4959364 0.81 CYP1A2 (0.43) CYP1A2POLBMAN2B1RPS6KB1AURKA
SCHEMBL4959362 0.81 CYP1A2 (0.43) CYP1A2POLBMAN2B1RPS6KB1AURKA
SCHEMBL14452553 0.78 KMT2A (0.47) CYP1A2POLBROCK2ROCK1RPS6KA5
SCHEMBL4958491 0.70 CYP1A2 (0.47) CYP1A2POLB
SCHEMBL10526965 0.68 RIPK1 (0.49) MAPKAPK2MAN2B1RPS6KB1RIPK1ROCK2
SCHEMBL20095129 0.67 MAPKAPK2 (0.54) MAPKAPK2CYP1A2EGFRRPS6KB1RIPK1
SCHEMBL430689 0.67 MAPKAPK2 (0.54) MAPKAPK2CYP1A2EGFRRPS6KB1RIPK1
SCHEMBL27783713 0.67 MAPKAPK2 (0.54) MAPKAPK2CYP1A2EGFRRPS6KB1RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1805175-B1 NOVEL AZAINDOLE THIAZOLINONES AS ANTI-CANCER AGENTS HOFFMANN LA ROCHE (CH) 2008-03-05 EP disclosed
CN-101046471-A Tumor models employing green fluorescent protein HOFFMANN LA ROCHE (CH) 2007-10-03 CN disclosed
CN-101023080-A Thiazolinone 4-monosubstituted quinolines HOFFMANN LA ROCHE (CH) 2007-08-22 CN disclosed
US-7253285-B2 Thiazolinone 4-monosubstituted quinolines HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
US-7247727-B2 Azaindole thiazolinones HOFFMANN-LA ROCHE INC. (US) 2007-07-24 US disclosed
EP-1805175-A1 NOVEL AZAINDOLE THIAZOLINONES AS ANTI-CANCER AGENTS F. Hoffmann-Roche AG (CH) 2007-07-11 EP disclosed
EP-1797085-A1 THIAZOLINONE 4-MONOSUBSTITUTED QUINOLINES F. Hoffmann-Roche AG (CH) 2007-06-20 EP disclosed
CN-1976927-A Quinoline thiazolinone compound HOFFMANN LA ROCHE (CH) 2007-06-06 CN disclosed
US-20060084674-A1 Azaindole thiazolinones CHEN SHAOQING 2006-04-20 US disclosed
WO-2006040049-A1 NOVEL AZAINDOLE THIAZOLINONES AS ANTI-CANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-04-20 WO 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 (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-20060063805-A1 Thiazolinone 4-monosubstituted quinolines CDK1, CDK14, CDK17 MAPKAPK2 410/4885CYP1A2 3343/4885POLB 725/4885
US-20060084674-A1 Azaindole thiazolinones CDK1, CDK2, CDK12 MAPKAPK2 249/4885CYP1A2 3707/4885POLB 1055/4885

“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.