SCHEMBL792127

SCHEMBL792127

Clc1ccc(Cl)c(-c2nc3ccnc(Cl)c3s2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 6/20 0.43
AGPAT2 O15120 3/20 0.43
HTR2B P41595 1/20 0.38
PDE4D Q08499 1/20 0.38
ALDH1A1 P00352 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
JAK2 O60674 1/20 0.35
RAB9A P51151 1/20 0.35
DUSP3 P51452 1/20 0.35
PTPN11 Q06124 1/20 0.35
TSHR P16473 2/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
APOBEC3G Q9HC16 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
SCHEMBL792430 0.88 RAB9A (0.45) TYK2ALDH1A1MGAMGAASI
SCHEMBL792876 0.81 TYK2 (0.56) TYK2ALDH1A1RXFP1JAK2RAB9A
SCHEMBL793820 0.77 CCNE1 (0.38) TYK2RAB9A
SCHEMBL791570 0.76 TYK2 (0.46) TYK2ALDH1A1JAK2PTPN11HPGD
SCHEMBL793425 0.74 TYK2 (0.44) TYK2ALDH1A1JAK2HPGD
SCHEMBL790220 0.74 KMO (0.39) TYK2RAB9A
SCHEMBL791951 0.74 TYK2 (0.41) TYK2ALDH1A1RXFP1RAB9AMAPT
SCHEMBL792261 0.73 TYK2 (0.59) TYK2JAK2RAB9ASRC
SCHEMBL792295 0.73 TYK2 (0.48) TYK2ALDH1A1GAAJAK2RAB9A
SCHEMBL793080 0.73 TYK2 (0.43) TYK2ALDH1A1JAK2HPGD

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 229/4885AGPAT2 2861/4885HTR2B 78/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R TYK2 229/4885AGPAT2 2861/4885HTR2B 78/4885

“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.