SCHEMBL3882532

SCHEMBL3882532

CCCCOc1c(C#N)cnc2ccc(C=O)cc12

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SRC P12931 8/20 0.40
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TLR4 O00206 1/20 0.34
RAF1 P04049 1/20 0.34
MAP2K1 Q02750 1/20 0.34
PTGER4 P35408 1/20 0.33
PDGFRB P09619 1/20 0.33
CHEK1 O14757 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
SCHEMBL3883366 0.89 SRC (0.41) SRCALDH1A1
SCHEMBL3892401 0.88 SRC (0.41) SRCPTGER4
SCHEMBL3880916 0.85 SRC (0.39) SRCALDH1A1HPGDLMNAMAPT
SCHEMBL3889166 0.83 SRC (0.38) SRCALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL3891428 0.83 SRC (0.38) SRC
SCHEMBL14452725 0.83 CHRM4 (0.44) SRCALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL3887905 0.82 SRC (0.38) SRCALDH1A1RAF1MAP2K1
SCHEMBL3886277 0.82 SRC (0.35) SRCALDH1A1HPGDLMNAMAPT
SCHEMBL3896435 0.81 SRC (0.42) SRCALDH1A1HPGDTLR4RAF1
SCHEMBL3891353 0.81 ALDH1A1 (0.34) SRCALDH1A1HPGDMAPTSMN1; SMN2

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 9 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 disclosed
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-7250515-B2 Thiazolinone 3,4-disubstituted quinolines HOFFMAN-LA ROCHE INC. (US) 2007-07-31 US disclosed
US-7250515-B2 Thiazolinone 3,4-disubstituted quinolines HOFFMAN-LA ROCHE INC. (US) 2007-07-31 US disclosed
CN-1976927-A Quinoline thiazolinone compound HOFFMANN LA ROCHE (CH) 2007-06-06 CN 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 SRC 1014/4885ALDH1A1 3840/4885HPGD 2911/4885

“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.