SCHEMBL793342

SCHEMBL793342

N#Cc1cccc(Cl)c1-c1nc2ccnc(NC(=O)C3CC3)c2s1

nearest known ligand 0.81

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 16/20 0.81
JAK2 O60674 10/20 0.81
ABL1 P00519 2/20 0.40
MALT1 Q9UDY8 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL792572 0.90 TYK2 (1.00) TYK2JAK2ABL1MEN1KMT2A
SCHEMBL792100 0.90 TYK2 (0.67) TYK2JAK2ABL1MALT1
SCHEMBL793798 0.85 TYK2 (0.76) TYK2JAK2
SCHEMBL792976 0.85 TYK2 (0.86) TYK2JAK2ABL1
SCHEMBL11960382 0.83 TYK2 (0.83) TYK2JAK2ABL1MEN1KMT2A
SCHEMBL792174 0.82 TYK2 (0.74) TYK2JAK2ABL1MALT1MEN1
SCHEMBL791932 0.81 TYK2 (0.78) TYK2JAK2ABL1MEN1KMT2A
SCHEMBL791610 0.80 TYK2 (0.80) TYK2JAK2
SCHEMBL792341 0.79 TYK2 (0.77) TYK2JAK2ABL1MEN1KMT2A
SCHEMBL14812629 0.79 TYK2 (0.57) TYK2JAK2ABL1MALT1

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 2 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-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 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 (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 544/4885ABL1 446/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R TYK2 229/4885JAK2 544/4885ABL1 446/4885

“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.