SCHEMBL3881229

SCHEMBL3881229

COc1c(C(=O)N(C)C)cnc2ccc(/C=S3/CC(=O)N=C3N[C@@H]3C[C@H]3c3ccccc3)cc12

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.38
SRC P12931 6/20 0.38
KDR P35968 4/20 0.35
FLT1 P17948 4/20 0.35
ABL1 P00519 3/20 0.35
SYK P43405 3/20 0.35
NUDT1 P36639 1/20 0.31
PDE4B Q07343 1/20 0.30

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
SCHEMBL3884015 0.93 EGFR (0.40) EGFRSRCKDRFLT1ABL1
SCHEMBL3883318 0.92 EGFR (0.39) EGFRSRCKDRFLT1ABL1
SCHEMBL3880153 0.91 EGFR (0.39) EGFRSRCKDRFLT1ABL1
SCHEMBL3884236 0.89 EGFR (0.38) EGFRSRCKDRFLT1ABL1
SCHEMBL3880451 0.87 EGFR (0.39) EGFRSRCKDRFLT1ABL1
SCHEMBL3882523 0.86 EGFR (0.39) EGFRSRCKDRFLT1ABL1
SCHEMBL3880080 0.85 EGFR (0.38) EGFRSRCKDRFLT1ABL1
SCHEMBL3948070 0.85 EGFR (0.35) EGFRSRCKDRFLT1ABL1
SCHEMBL3883356 0.83 MAPT (0.38) EGFRSRC
SCHEMBL3886602 0.83 EGFR (0.36) EGFRSRCKDRFLT1ABL1

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 6 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
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 EGFR 1881/4885SRC 1014/4885KDR 2272/4885

“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.