SCHEMBL5499754

SCHEMBL5499754

CCN(CC)c1ccnc2ccc(Br)cc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.60
ALDH1A1 P00352 2/20 0.60
SLC22A12 Q96S37 3/20 0.47
CCNC P24863 2/20 0.44
CDK8 P49336 2/20 0.44
NCF1 P14598 1/20 0.42
GBA1 P04062 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
PDGFRB P09619 3/20 0.41
HRH3 Q9Y5N1 1/20 0.41
GAK O14976 1/20 0.41
EPHB6 O15197 1/20 0.41
RIPK2 O43353 1/20 0.41
STK16 O75716 1/20 0.41
ABL1 P00519 1/20 0.41
ACVR1 Q04771 1/20 0.41
AAK1 Q2M2I8 1/20 0.41
COQ8A Q8NI60 1/20 0.41
NLK Q9UBE8 1/20 0.41
CCR5 P51681 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
SCHEMBL1543907 0.83 SLC22A12 (0.49) HTTALDH1A1SLC22A12CCNCCDK8
SCHEMBL14359324 0.77 HRH3 (0.60) ALDH1A1NCF1HRH3
SCHEMBL5507819 0.76 ALDH1A3 (0.53) HTTALDH1A1HRH3SMN1; SMN2
SCHEMBL2621789 0.76 SYK (0.52) HTTALDH1A1SLC22A12CCNCCDK8
SCHEMBL20392611 0.76 SLC22A12 (0.53) HTTALDH1A1SLC22A12CCNCCDK8
SCHEMBL14300929 0.75 HTT (1.00) HTTALDH1A1CCNCCDK8LMNA
SCHEMBL2621790 0.73 PDGFRB (0.50) HTTALDH1A1SLC22A12CCNCCDK8
SCHEMBL20385253 0.73 CCNC (0.43) HTTALDH1A1SLC22A12CCNCCDK8
SCHEMBL729828 0.73 SLC22A12 (0.49) HTTALDH1A1SLC22A12CCNCCDK8
SCHEMBL741042 0.73 SLC22A12 (0.53) HTTALDH1A1SLC22A12CCNCCDK8

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
CN-101023080-A Thiazolinone 4-monosubstituted quinolines HOFFMANN LA ROCHE (CH) 2007-08-22 CN disclosed
US-7253285-B2 Thiazolinone 4-monosubstituted quinolines HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
US-7253285-B2 Thiazolinone 4-monosubstituted quinolines HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
US-7253285-B2 Thiazolinone 4-monosubstituted quinolines HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
EP-1797085-A1 THIAZOLINONE 4-MONOSUBSTITUTED QUINOLINES F. Hoffmann-Roche AG (CH) 2007-06-20 EP disclosed
US-20060063805-A1 Thiazolinone 4-monosubstituted quinolines CHEN LI 2006-03-23 US disclosed
WO-2006029861-A1 THIAZOLINONE 4-MONOSUBSTITUTED QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2006-03-23 WO 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-20060063805-A1 Thiazolinone 4-monosubstituted quinolines CDK1, CDK14, CDK17 HTT 3939/4885ALDH1A1 3777/4885SLC22A12 3398/4885

“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.