SCHEMBL807531

SCHEMBL807531

CC(C)c1c(Cl)cc(CN)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 10/20 0.48
PNMT P11086 4/20 0.41
ROCK2 O75116 1/20 0.39
PRKCA P17252 1/20 0.39
AKT1 P31749 1/20 0.39
ROCK1 Q13464 1/20 0.39
RPS6KA1 Q15418 1/20 0.39
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A3 Q8NEV1 1/20 0.37
TAAR1 Q96RJ0 2/20 0.35
LOX P28300 1/20 0.34
LOXL3 P58215 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
CYP3A4 P08684 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL11981494 0.87 CSNK2A1 (0.43) CSNK2A1PNMTROCK2PRKCAAKT1
SCHEMBL12985880 0.78 PNMT (0.38) CSNK2A1PNMTCSNK2A2CSNK2BCSNK2A3
SCHEMBL807271 0.76 THRB (0.44) CSNK2A1PNMTROCK2PRKCAAKT1
SCHEMBL13993810 0.75 CSNK2A1 (0.42) CSNK2A1PNMTCSNK2A2CSNK2BCSNK2A3
SCHEMBL10257534 0.74 LOXL2 (0.36) CSNK2A1TAAR1LOXL2
SCHEMBL17540835 0.74 CSNK2A1 (0.56) CSNK2A1PNMTROCK2PRKCAAKT1
SCHEMBL20943489 0.74 ALDH1A1 (0.45) CSNK2A1PNMTCSNK2A2CSNK2BCSNK2A3
SCHEMBL13748246 0.73 PNMT (0.34) CSNK2A1PNMT
SCHEMBL12295348 0.73 GSR (0.52) PNMTTAAR1SLC6A2SLC6A3
SCHEMBL12295392 0.73 SLC6A4 (0.42) PNMTLOXL2CYP3A4SLC6A2SLC6A3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140171408-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2014-06-19 US disclosed
US-8486950-B2 Janus kinase inhibitor compounds and methods F. HOFFMANN-LA ROCHE AG (CH) 2013-07-16 US disclosed
US-20130096104-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2013-04-18 US disclosed
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 US disclosed
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 US disclosed
WO-2012035039-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-03-22 WO disclosed
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-12-16 US disclosed
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-12-16 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 (4 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-20130096104-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE TYK2, IRAK1, IRAK4 CSNK2A1 9/4885PNMT 3392/4885ROCK2 510/4885
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 CSNK2A1 123/4885PNMT 4471/4885ROCK2 126/4885
US-20140171408-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R CSNK2A1 270/4885PNMT 2569/4885ROCK2 2263/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R CSNK2A1 270/4885PNMT 2569/4885ROCK2 2263/4885

“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.