SCHEMBL792287

SCHEMBL792287

N#Cc1cccc(F)c1-c1nc2c(F)cncc2s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 2/20 0.38
ILK Q13418 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.34
CYP11B1 P15538 4/20 0.33
CYP11B2 P19099 4/20 0.33
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
PRNP P04156 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
HTT P42858 1/20 0.33
GABRA1 P14867 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33

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
SCHEMBL792394 0.89 TYK2 (0.43) TYK2ILKCYP11B1CYP11B2ALDH1A1
SCHEMBL793107 0.80 ILK (0.46) TYK2ILKSMN1; SMN2RAB9ANPC1
SCHEMBL792207 0.80 ILK (0.37) TYK2ILKSMN1; SMN2RAB9ANPC1
SCHEMBL792854 0.76 ILK (0.39) TYK2ILKSMN1; SMN2RAB9ANPC1
SCHEMBL792203 0.76 TYK2 (0.47) TYK2ALDH1A1GABRA1GABRG2GABRB3
SCHEMBL793390 0.76 TYK2 (0.45) TYK2GABRA1GABRG2GABRB3GABRA5
SCHEMBL792763 0.74 ILK (0.37) ILKSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL792864 0.74 TYK2 (0.49) TYK2CYP11B1CYP11B2
SCHEMBL22730146 0.74 CYP11B2 (0.40) CYP11B1CYP11B2HTTGABRA1GABRG2
SCHEMBL792512 0.71 ILK (0.41) TYK2ILKSMN1; SMN2RAB9ANPC1

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 229/4885ILK 4153/4885SMN1; SMN2 1793/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R TYK2 229/4885ILK 4153/4885SMN1; SMN2 1793/4885

“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.