SCHEMBL793011

SCHEMBL793011

Fc1cncc(F)c1N=C(Cl)c1c(F)cccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
GAA P10253 5/20 0.38
MAPK7 Q13164 3/20 0.37
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPK14 Q16539 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TLR8 Q9NR97 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ITGB2 P05107 1/20 0.34
ICAM1 P05362 1/20 0.34
ITGAL P20701 1/20 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
SCHEMBL793010 1.00 JAK2 (0.41) JAK2JAK1TYK2LMNAHTT
SCHEMBL793272 0.94 LMNA (0.39) JAK2JAK1TYK2LMNAHTT
SCHEMBL793273 0.94 LMNA (0.39) JAK2JAK1TYK2LMNAHTT
SCHEMBL11898796 0.90 JAK2 (0.37) JAK2JAK1TYK2LMNAHTT
SCHEMBL11898795 0.90 JAK2 (0.37) JAK2JAK1TYK2LMNAHTT
SCHEMBL792658 0.81 ALDH1A1 (0.39) JAK2JAK1TYK2LMNAHTT
SCHEMBL792657 0.81 ALDH1A1 (0.39) JAK2JAK1TYK2LMNAHTT
SCHEMBL793871 0.77 GPR35 (0.36) LMNAHTTMAPTRAB9ANPSR1
SCHEMBL793872 0.77 GPR35 (0.36) LMNAHTTMAPTRAB9ANPSR1
SCHEMBL794030 0.75

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.