SCHEMBL3880378

SCHEMBL3880378

COc1c(C(N)=O)cnc2ccc(I)cc12

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
PDE4B Q07343 7/20 0.44
KCNH2 Q12809 2/20 0.43
NNMT P40261 1/20 0.42
GAK O14976 1/20 0.41
RIPK2 O43353 1/20 0.41
COQ8A Q8NI60 1/20 0.41
NLK Q9UBE8 1/20 0.41
CSF1R P07333 7/20 0.41
APP P05067 1/20 0.41
ATM Q13315 1/20 0.40

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
SCHEMBL3880885 0.87 LMNA (0.46) KDM4EPDE4BGAKRIPK2COQ8A
SCHEMBL3891379 0.86 TSHR (0.46) KDM4EGAKRIPK2COQ8ANLK
SCHEMBL14452550 0.84 NNMT (0.50) KDM4EPDE4BKCNH2NNMTCSF1R
SCHEMBL3880910 0.84 APP (0.42) KDM4EPDE4BGAKRIPK2COQ8A
SCHEMBL3883176 0.81 KDM4E (0.45) KDM4EPDE4BKCNH2NNMTCSF1R
SCHEMBL13955928 0.80 PDE4B (0.55) KDM4EPDE4BKCNH2NNMTCSF1R
SCHEMBL14452595 0.79 GAK (0.39) KDM4EGAKRIPK2COQ8ANLK
SCHEMBL2479384 0.78 LMNA (0.42) KDM4EPDE4BKCNH2NNMTCSF1R
SCHEMBL8300370 0.75 PDE4B (0.77) PDE4BCSF1R
Hydrochloric Acid SCHEMBL2482168 0.74 PDE4B (0.76) PDE4BCSF1R

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 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
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 KDM4E 1042/4885PDE4B 2464/4885KCNH2 3690/4885

“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.