SCHEMBL793886

SCHEMBL793886

Nc1cccc(Cl)c1-c1nc2ccnc(Cl)c2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 11/20 0.50
JAK2 O60674 1/20 0.49
NR4A2 P43354 2/20 0.36
PSMB8 P28062 1/20 0.34
FGFR1 P11362 1/20 0.33
SRC P12931 1/20 0.33
LMNA P02545 1/20 0.33
PDE10A Q9Y233 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
CASP6 P55212 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL792261 0.90 TYK2 (0.59) TYK2JAK2PSMB8FGFR1SRC
SCHEMBL792969 0.83 TYK2 (0.58) TYK2JAK2PSMB8LMNAPDE10A
SCHEMBL791925 0.83 TYK2 (0.52) TYK2JAK2PSMB8
SCHEMBL792962 0.82 TYK2 (0.55) TYK2JAK2NR4A2PSMB8FGFR1
SCHEMBL793759 0.81 TYK2 (0.47) TYK2JAK2SRCALDH1A1GAA
SCHEMBL792395 0.80 TYK2 (0.47) TYK2JAK2PSMB8
SCHEMBL793073 0.78 TYK2 (0.50) TYK2JAK2PSMB8KDM4ENPC1
SCHEMBL792917 0.78 TYK2 (0.48) TYK2JAK2LMNAPDE10AKDM4E
SCHEMBL11899059 0.77 TYK2 (0.55) TYK2JAK2PSMB8FGFR1SRC
SCHEMBL791570 0.77 TYK2 (0.46) TYK2JAK2PSMB8ALDH1A1

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 544/4885NR4A2 97/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R TYK2 229/4885JAK2 544/4885NR4A2 97/4885

“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.