SCHEMBL3879992

SCHEMBL3879992

CCOC(=O)c1ccc2ncc(C#N)c(Cl)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
MAPT P10636 5/20 0.46
TP53 P04637 3/20 0.46
KDM4E B2RXH2 4/20 0.45
HSD17B10 Q99714 2/20 0.45
HPGD P15428 2/20 0.45
TSHR P16473 1/20 0.45
PAX8 Q06710 1/20 0.44
HTT P42858 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
NMT1 P30419 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL3883031 0.83 ALDH1A1 (0.45) ALDH1A1L3MBTL1NPC1RAB9ACYP1A2
SCHEMBL3880707 0.82 NPC1 (0.56) ALDH1A1L3MBTL1NPC1RAB9ACYP1A2
SCHEMBL3882435 0.82 KDM4E (0.45) ALDH1A1L3MBTL1NPC1RAB9AMAPT
SCHEMBL3886240 0.82 ALDH1A1 (0.44) ALDH1A1L3MBTL1NPC1RAB9ACYP1A2
SCHEMBL3881603 0.81 ALDH1A1 (0.46) ALDH1A1L3MBTL1NPC1RAB9ACYP1A2
SCHEMBL3883682 0.80 ALDH1A1 (0.57) ALDH1A1L3MBTL1NPC1RAB9ACYP1A2
SCHEMBL3880790 0.79 ACHE (0.52) ALDH1A1NPC1RAB9ACYP1A2CYP2C9
SCHEMBL31428641 0.77 ALDH1A1 (0.53) ALDH1A1L3MBTL1NPC1RAB9ACYP1A2
SCHEMBL839166 0.76 PDE5A (0.60) ALDH1A1L3MBTL1MAPTKDM4ENMT1
SCHEMBL13812160 0.75 CA12 (0.51) ALDH1A1L3MBTL1NPC1RAB9ACYP1A2

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 7 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
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 ALDH1A1 3840/4885L3MBTL1 1454/4885NPC1 3984/4885

“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.