SCHEMBL793533

SCHEMBL793533

O=C(Nc1ccnc(Cl)c1F)c1c(F)cc(I)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 5/20 0.39
JAK2 O60674 4/20 0.39
JAK1 P23458 2/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 1/20 0.38
PTGES O14684 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RAB9A P51151 2/20 0.36
POLB P06746 2/20 0.36
NPC1 O15118 1/20 0.36
TLR8 Q9NR97 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAP2K1 Q02750 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GRM4 Q14833 1/20 0.35

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
SCHEMBL793330 0.93 TYK2 (0.43) TYK2JAK2JAK1CA1CA2
SCHEMBL793181 0.83 TYK2 (0.55) TYK2JAK2KMT2A
SCHEMBL792054 0.82 TYK2 (0.59) TYK2JAK2JAK1PTGESMEN1
SCHEMBL793356 0.80 TYK2 (0.58) TYK2JAK2JAK1MEN1KMT2A
SCHEMBL792819 0.79 TYK2 (0.52) TYK2JAK2JAK1KMT2A
SCHEMBL793561 0.74 TYK2 (0.49) TYK2JAK2JAK1PTGES
SCHEMBL16165254 0.73 RAB9A (0.41) MEN1KMT2ARAB9APOLBNPC1
SCHEMBL793233 0.71 HTT (0.47) TYK2JAK2JAK1MEN1KMT2A
SCHEMBL793551 0.68 KMT2A (0.41) TYK2JAK2JAK1KMT2APOLB
SCHEMBL4488778 0.68 S1PR3 (0.52) RAB9APOLBNPC1LMNATP53

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 544/4885JAK1 663/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R TYK2 229/4885JAK2 544/4885JAK1 663/4885

“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.