SCHEMBL3879953

SCHEMBL3879953

CCCCSc1c(C#N)cnc2ccc(C=O)cc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 1/20 0.44
AR P10275 3/20 0.39
NMT1 P30419 7/20 0.38
TSHR P16473 2/20 0.38
HTT P42858 2/20 0.38
HSD17B10 Q99714 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
NMT2 O60551 4/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.35
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
SRC P12931 4/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 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
SCHEMBL3888358 0.88 MAPK1 (0.39) ENPP1NMT1KDM4ENMT2MAPK1
SCHEMBL14452644 0.83 NMT1 (0.50) ENPP1ARNMT1TSHRHTT
SCHEMBL3884219 0.83 SRC (0.38) ENPP1KDM4EMEN1KMT2AALDH1A1
SCHEMBL3882392 0.83 ENPP1 (0.41) ENPP1NMT1NMT2SRC
SCHEMBL3891360 0.83 ENPP1 (0.36) ENPP1NMT1NMT2MAPK1SRC
SCHEMBL3880124 0.82 ENPP1 (0.44) ENPP1ARNMT1TSHRHTT
SCHEMBL3886277 0.80 SRC (0.35) ARNMT1HTTL3MBTL1KDM4E
SCHEMBL13956121 0.80 KMT2A (0.44) ENPP1HTTL3MBTL1MEN1GAA
SCHEMBL28761696 0.79 ALDH1A1 (0.47) ENPP1ARNMT1TSHRHTT
SCHEMBL3879889 0.79 ENPP1 (0.38) ENPP1ARNMT1TSHRHTT

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 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
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 ENPP1 3797/4885AR 1517/4885NMT1 1824/4885

“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.