SCHEMBL791724

SCHEMBL791724

N#Cc1cc(F)c(-c2nc3ccnc(Cl)c3s2)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 14/20 0.42
JAK2 O60674 4/20 0.35
GRM5 P41594 4/20 0.33
EGLN2 Q96KS0 1/20 0.33
PSMB8 P28062 1/20 0.33
JAK1 P23458 1/20 0.31
CDK2 P24941 1/20 0.31
CDK9 P50750 1/20 0.31
JAK3 P52333 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
SCHEMBL793432 0.91 TYK2 (0.43) TYK2JAK2GRM5EGLN2PSMB8
SCHEMBL792665 0.90 TYK2 (0.41) TYK2JAK2GRM5EGLN2
SCHEMBL792367 0.90 TYK2 (0.41) TYK2JAK2GRM5EGLN2PSMB8
SCHEMBL792875 0.81 TYK2 (0.41) TYK2JAK2CDK2
SCHEMBL792674 0.81 TYK2 (0.54) TYK2JAK2JAK1CDK2CDK9
SCHEMBL792146 0.81 TYK2 (0.40) TYK2JAK2PSMB8
SCHEMBL792037 0.80 TYK2 (0.41) TYK2JAK2GRM5EGLN2PSMB8
SCHEMBL793491 0.80 TYK2 (0.41) TYK2JAK2PSMB8JAK1CDK2
SCHEMBL792697 0.80 TYK2 (0.56) TYK2JAK2JAK1CDK2CDK9
SCHEMBL792025 0.79 TYK2 (0.65) TYK2JAK2JAK1CDK2CDK9

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
US-20140171408-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2014-06-19 US disclosed
US-8697708-B2 Azabenzothiazole compounds, compositions and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2014-04-15 US disclosed
EP-2616072-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2013-07-24 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20140171408-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R TYK2 229/4885JAK2 544/4885GRM5 532/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R TYK2 229/4885JAK2 544/4885GRM5 532/4885

“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.