SCHEMBL3883359

SCHEMBL3883359

CCOc1c(S(C)(=O)=O)cnc2ccc(/C=C3/SC(SCC)=NC3=O)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 13/20 0.41
MEN1 O00255 12/20 0.41
MAPT P10636 7/20 0.41
ALDH1A1 P00352 6/20 0.41
HPGD P15428 5/20 0.41
MITF O75030 3/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
LMNA P02545 2/20 0.41
RAB9A P51151 1/20 0.41
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 3/20 0.39
MYC P01106 1/20 0.38
MAX P61244 1/20 0.38
ALOX5 P09917 2/20 0.36
CHEK1 O14757 1/20 0.35
DAPK3 O43293 1/20 0.35

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
SCHEMBL3883361 1.00 KMT2A (0.41) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL3881613 0.93 MEN1 (0.43) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL3881610 0.93 MEN1 (0.43) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL13955946 0.92 MYC (0.47) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL3886628 0.87 KMT2A (0.54) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL14470355 0.81 KMT2A (0.36) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL3881203 0.81 KMT2A (0.37) KMT2AMEN1GAAALOX5CHEK1
SCHEMBL3887446 0.79 PDE4B (0.56) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL3887448 0.79 PDE4B (0.56) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL14452720 0.79 PDE4B (0.56) KMT2AMEN1MAPTALDH1A1LMNA

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 KMT2A 611/4885MEN1 1351/4885MAPT 2606/4885

“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.