SCHEMBL3882728

SCHEMBL3882728

CCOc1c(C#N)cnc2ccc(/C=S3/CC(=O)N=C3NCc3ccccn3)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K8 P41279 2/20 0.38
PTK2 Q05397 2/20 0.35
PTK2B Q14289 2/20 0.35
PDE5A O76074 1/20 0.35
STK4 Q13043 5/20 0.35
STK3 Q13188 3/20 0.34
ERBB2 P04626 3/20 0.34
EGFR P00533 4/20 0.33
SRC P12931 2/20 0.32
MET P08581 2/20 0.32
STK25 O00506 1/20 0.32
MAP2K7 O14733 1/20 0.32
CHEK1 O14757 1/20 0.32
GAK O14976 1/20 0.32
EPHB6 O15197 1/20 0.32
ABCC4 O15439 1/20 0.32
MAP3K13 O43283 1/20 0.32
NUAK1 O60285 1/20 0.32
STK17B O94768 1/20 0.32
STK10 O94804 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
SCHEMBL3883355 0.92 SRC (0.33) ERBB2EGFRSRC
SCHEMBL3882415 0.92 SRC (0.33) SRC
SCHEMBL3881214 0.88 STK4 (0.33) STK4
SCHEMBL3884442 0.86 MAP3K8 (0.39) MAP3K8SRC
SCHEMBL3881935 0.86 F2 (0.33)
SCHEMBL3881877 0.83 STK4 (0.32) STK4ERBB2EGFRKCNH2
SCHEMBL3887443 0.83 STK4 (0.32) STK4ERBB2EGFRKCNH2
SCHEMBL3882691 0.83 STK4 (0.32) STK4ERBB2EGFRKCNH2
SCHEMBL5508752 0.83 SRC (0.33) SRC
SCHEMBL3881126 0.83 SRC (0.33) SRC

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
EP-1771443-B1 QUINOLINE THIAZOLINONES WITH CDK-1 ANTIPROLIFERATIVE ACTIVITY HOFFMANN LA ROCHE (CH) 2009-01-07 EP claimed
US-7250515-B2 Thiazolinone 3,4-disubstituted quinolines HOFFMAN-LA ROCHE INC. (US) 2007-07-31 US claimed
US-20060004046-A1 Thiazolinone 3,4-disubstituted quinolines CHEN LI 2006-01-05 US claimed
EP-1771443-B1 QUINOLINE THIAZOLINONES WITH CDK-1 ANTIPROLIFERATIVE ACTIVITY HOFFMANN LA ROCHE (CH) 2009-01-07 EP disclosed
US-7250515-B2 Thiazolinone 3,4-disubstituted quinolines HOFFMAN-LA ROCHE INC. (US) 2007-07-31 US disclosed
EP-1771443-A1 QUINOLINE THIAZOLINONES WITH CDK1 ANTIPROLIFERATIVE ACTIVITY F.HOFFMANN-LA ROCHE AG (CH) 2007-04-11 EP disclosed
WO-2006002828-A1 QUINOLINE THIAZOLINONES WITH CDK1 ANTIPROLIFERATIVE ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2006-01-12 WO disclosed
US-20060004046-A1 Thiazolinone 3,4-disubstituted quinolines CHEN LI 2006-01-05 US 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-20060004046-A1 Thiazolinone 3,4-disubstituted quinolines CDK1, CDK17, CDK14 MAP3K8 179/4885PTK2 1090/4885PTK2B 890/4885

“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.