SCHEMBL793267

SCHEMBL793267

O=C(Nc1c(F)cncc1F)c1c(F)cccc1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.65
JAK1 P23458 2/20 0.65
TYK2 P29597 2/20 0.65
GAA P10253 5/20 0.57
L3MBTL1 Q9Y468 1/20 0.54
RAB9A P51151 3/20 0.53
TLR7 Q9NYK1 1/20 0.53
MAPT P10636 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
NPC1 O15118 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
MAOB P27338 1/20 0.52
TLR8 Q9NR97 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.50
CYP3A4 P08684 2/20 0.49
RXFP1 Q9HBX9 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL792493 0.94 TYK2 (0.56) JAK2JAK1TYK2GAAL3MBTL1
SCHEMBL793111 0.90 JAK2 (0.58) JAK2JAK1TYK2GAAL3MBTL1
SCHEMBL793038 0.83 JAK2 (0.46) JAK2JAK1TYK2GAAL3MBTL1
SCHEMBL3515504 0.79 TYK2 (1.00) JAK2JAK1TYK2GAARAB9A
SCHEMBL792691 0.77 LMNA (0.45) JAK2JAK1TYK2GAAL3MBTL1
SCHEMBL14968580 0.77 GAA (0.63) JAK2JAK1TYK2GAAL3MBTL1
SCHEMBL793551 0.77 KMT2A (0.41) JAK2JAK1TYK2L3MBTL1NPSR1
SCHEMBL23808915 0.76 KMT2A (0.63) JAK2JAK1TYK2RAB9ANPC1
SCHEMBL15410542 0.75 TLR7 (0.60) JAK2JAK1TYK2GAAL3MBTL1
SCHEMBL28869679 0.75 GAA (0.65) JAK2JAK1TYK2GAAL3MBTL1

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

“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.