SCHEMBL3887448

SCHEMBL3887448

CCOc1c(S(C)(=O)=O)cnc2ccc(C=C3SC(=S)NC3=O)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.56
PDE3A Q14432 5/20 0.56
DYRK1A Q13627 6/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
DYRK2 Q92630 3/20 0.53
PIM1 P11309 3/20 0.53
ALDH1A1 P00352 3/20 0.53
MAPT P10636 3/20 0.53
LMNA P02545 2/20 0.53
PIM3 Q86V86 2/20 0.53
PIM2 Q9P1W9 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
POLB P06746 3/20 0.50
GPR35 Q9HC97 1/20 0.50
CLK4 Q9HAZ1 3/20 0.48
PIK3CD O00329 2/20 0.48
CSNK2A2 P19784 2/20 0.48
PIK3CA P42336 2/20 0.48
PIK3CG P48736 2/20 0.48

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
SCHEMBL14452720 1.00 PDE4B (0.56) PDE4BPDE3ADYRK1AMEN1KMT2A
SCHEMBL3887446 1.00 PDE4B (0.56) PDE4BPDE3ADYRK1AMEN1KMT2A
SCHEMBL13955932 0.83 PDE4B (0.56) PDE4BPDE3ADYRK1AMEN1KMT2A
SCHEMBL3885317 0.81 NAT1 (0.52) PDE4BPDE3ADYRK1AMEN1KMT2A
SCHEMBL3885314 0.81 NAT1 (0.52) PDE4BPDE3ADYRK1AMEN1KMT2A
SCHEMBL13956118 0.81 NAT1 (0.52) PDE4BPDE3ADYRK1AMEN1KMT2A
SCHEMBL3886628 0.80 KMT2A (0.54) DYRK1AMEN1KMT2APIM1ALDH1A1
SCHEMBL13955946 0.79 MYC (0.47) DYRK1AMEN1KMT2APIM1ALDH1A1
SCHEMBL3883359 0.79 KMT2A (0.41) DYRK1AMEN1KMT2APIM1ALDH1A1
SCHEMBL3883361 0.79 KMT2A (0.41) DYRK1AMEN1KMT2APIM1ALDH1A1

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 5 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
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 PDE4B 2464/4885PDE3A 3579/4885DYRK1A 537/4885

“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.