SCHEMBL792105

SCHEMBL792105

Cc1nc(Nc2nccc3nc(-c4c(Cl)cccc4Cl)sc23)cc(N2CCN(CCO)CC2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 8/20 0.59
SRC P12931 5/20 0.56
ABL1 P00519 6/20 0.54
KIT P10721 4/20 0.54
PKMYT1 Q99640 3/20 0.54
LCK P06239 3/20 0.54
LYN P07948 3/20 0.54
EPHB6 O15197 2/20 0.54
EGFR P00533 2/20 0.54
FYN P06241 2/20 0.54
CSF1R P07333 2/20 0.54
YES1 P07947 2/20 0.54
RET P07949 2/20 0.54
HCK P08631 2/20 0.54
BCR P11274 2/20 0.54
BRAF P15056 2/20 0.54
EPHA1 P21709 2/20 0.54
EPHA2 P29317 2/20 0.54
EPHA3 P29320 2/20 0.54
EPHA8 P29322 2/20 0.54

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
SCHEMBL791573 0.95 TYK2 (0.55) TYK2SRCABL1KITPKMYT1
SCHEMBL792056 0.88 TYK2 (0.65) TYK2SRCABL1KITPKMYT1
SCHEMBL11898943 0.86 TYK2 (0.55) TYK2SRCABL1LCKBRAF
SCHEMBL792771 0.83 TYK2 (0.61) TYK2SRCABL1KITPKMYT1
SCHEMBL2372389 0.82 JAK2 (0.61) TYK2SRCABL1KITPKMYT1
SCHEMBL792601 0.81 TYK2 (0.52) TYK2SRCLCKBRAFJAK2
SCHEMBL793379 0.79 TYK2 (0.79) TYK2SRCABL1KITLCK
SCHEMBL11960369 0.79 TYK2 (0.54) TYK2SRCLCKLYNKDR
SCHEMBL2372126 0.79 JAK2 (0.56) TYK2SRCABL1KITPKMYT1
SCHEMBL792866 0.77 TYK2 (0.71) TYK2SRCABL1KITPKMYT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8697708-B2 Azabenzothiazole compounds, compositions and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2014-04-15 US claimed
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 US claimed
US-20140171408-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2014-06-19 US disclosed
US-20140171408-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2014-06-19 US disclosed
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
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
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 229/4885SRC 690/4885ABL1 446/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R TYK2 229/4885SRC 690/4885ABL1 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.