SCHEMBL793929

SCHEMBL793929

Cc1cccc(-c2nc3ccnc(Cl)c3s2)c1C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 6/20 0.44
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HTT P42858 2/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
JAK2 O60674 1/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPT P10636 3/20 0.36
MAPK1 P28482 2/20 0.36
ALOX15 P16050 1/20 0.35
TP53 P04637 2/20 0.34
POLB P06746 1/20 0.34
GAA P10253 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
SCHEMBL792295 0.88 TYK2 (0.48) TYK2NPC1RAB9ALMNAALDH1A1
SCHEMBL793759 0.84 TYK2 (0.47) TYK2ALDH1A1HPGDSMN1; SMN2JAK2
SCHEMBL791570 0.79 TYK2 (0.46) TYK2ALDH1A1HPGDJAK2MAPK1
SCHEMBL792876 0.79 TYK2 (0.56) TYK2NPC1RAB9AALDH1A1HTT
SCHEMBL793425 0.78 TYK2 (0.44) TYK2NPC1ALDH1A1HPGDJAK2
SCHEMBL791951 0.77 TYK2 (0.41) TYK2NPC1RAB9ALMNAALDH1A1
SCHEMBL793142 0.77 TYK2 (0.40) TYK2ALDH1A1HPGDJAK2MAPT
SCHEMBL792555 0.77 TYK2 (0.43) TYK2NPC1RAB9AALDH1A1HPGD
SCHEMBL793498 0.76 ALDH1A1 (0.45) TYK2NPC1RAB9AALDH1A1HPGD
SCHEMBL792261 0.74 TYK2 (0.59) TYK2NPC1RAB9AJAK2

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 7 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 claimed
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 US claimed
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 229/4885NPC1 1936/4885RAB9A 2858/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R TYK2 229/4885NPC1 1936/4885RAB9A 2858/4885

“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.