SCHEMBL792303

SCHEMBL792303

N#Cc1cc(Cl)c(C(=O)Nc2c(F)cncc2F)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 4/20 0.45
JAK2 O60674 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
KCNJ6 P48051 1/20 0.41
KCNJ5 P48544 1/20 0.41
KCNJ3 P48549 1/20 0.41
ACLY P53396 1/20 0.39
GRM5 P41594 1/20 0.37
GPR35 Q9HC97 1/20 0.36
CYP3A4 P08684 1/20 0.36
PDE4B Q07343 1/20 0.35

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
SCHEMBL793551 0.82 KMT2A (0.41) TYK2JAK2CYP3A4PDE4B
SCHEMBL12989018 0.82 TYK2 (0.47) TYK2JAK2TAS1R3TAS1R1TAS1R2
SCHEMBL792493 0.78 TYK2 (0.56) TYK2JAK2CYP3A4
SCHEMBL1706538 0.74 TYK2 (0.63) TYK2JAK2TAS1R3TAS1R1TAS1R2
SCHEMBL793267 0.72 JAK2 (0.65) TYK2JAK2CYP3A4
SCHEMBL3515207 0.72 TYK2 (0.65) TYK2JAK2TAS1R3TAS1R1TAS1R2
SCHEMBL792819 0.71 TYK2 (0.52) TYK2JAK2TAS1R3TAS1R1TAS1R2
SCHEMBL23803176 0.70 KCNJ6 (0.36) TYK2JAK2KCNJ6KCNJ5KCNJ3
SCHEMBL29623654 0.70 KCNJ6 (0.36) TYK2JAK2KCNJ6KCNJ5KCNJ3
SCHEMBL23803175 0.70 KCNJ6 (0.36) TYK2JAK2KCNJ6KCNJ5KCNJ3

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 229/4885JAK2 544/4885TAS1R3 2489/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R TYK2 229/4885JAK2 544/4885TAS1R3 2489/4885

“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.