SCHEMBL792706

SCHEMBL792706

N#Cc1cc(Cl)c(-c2nc3c(F)cnc(Cl)c3s2)c(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 3/20 0.61
GRM5 P41594 3/20 0.33
PSMB8 P28062 1/20 0.31
KCNJ6 P48051 1/20 0.30
KCNJ5 P48544 1/20 0.30
KCNJ3 P48549 1/20 0.30
CYP1A2 P05177 1/20 0.30
TRPV1 Q8NER1 1/20 0.30
KHK P50053 1/20 0.30

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
SCHEMBL11899019 0.88 TYK2 (0.59) TYK2GRM5KHK
SCHEMBL793352 0.88 TYK2 (0.59) TYK2GRM5
SCHEMBL11899017 0.83 TYK2 (0.63) TYK2
SCHEMBL792546 0.83 TYK2 (0.43) TYK2
SCHEMBL792772 0.80 TYK2 (0.43) TYK2PSMB8
SCHEMBL792091 0.79 TYK2 (0.48) TYK2PSMB8KHK
SCHEMBL792864 0.78 TYK2 (0.49) TYK2GRM5KCNJ6KCNJ5KCNJ3
SCHEMBL793110 0.78 TYK2 (0.66) TYK2TRPV1
SCHEMBL792203 0.78 TYK2 (0.47) TYK2PSMB8KHK
SCHEMBL792963 0.77 TYK2 (1.00) TYK2

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 229/4885GRM5 532/4885PSMB8 2354/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R TYK2 229/4885GRM5 532/4885PSMB8 2354/4885

“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.