SCHEMBL793584

SCHEMBL793584

Nc1ncc(F)c2nc(-c3c(Cl)cccc3Cl)sc12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 8/20 0.44
SRC P12931 3/20 0.38
FGFR1 P11362 2/20 0.38
ILK Q13418 2/20 0.37
JAK2 O60674 1/20 0.36
LMNA P02545 1/20 0.36
PDE10A Q9Y233 1/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CLK1 P49759 3/20 0.34

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
SCHEMBL791822 0.95 TYK2 (0.49) TYK2SRCFGFR1ILKJAK2
SCHEMBL11900124 0.88 TYK2 (0.52) TYK2SRCFGFR1ILKKDM4E
SCHEMBL792772 0.86 TYK2 (0.43) TYK2SRCFGFR1ILKJAK2
SCHEMBL793202 0.83 TYK2 (0.41) TYK2JAK2
SCHEMBL11899019 0.81 TYK2 (0.59) TYK2ILKJAK2CLK1
SCHEMBL793642 0.81 TYK2 (0.46) TYK2JAK2LMNASMN1; SMN2
SCHEMBL792565 0.78 TYK2 (0.47) TYK2JAK2
SCHEMBL791626 0.77 TYK2 (0.73) TYK2SRCFGFR1JAK2
Hydrochloric Acid SCHEMBL11898680 0.76 TYK2 (0.72) TYK2SRCFGFR1JAK2
SCHEMBL792619 0.76 TYK2 (0.55) TYK2SRCFGFR1JAK2KDM4E

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 229/4885SRC 690/4885FGFR1 2738/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R TYK2 229/4885SRC 690/4885FGFR1 2738/4885

“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.