SCHEMBL4478038

SCHEMBL4478038

Cc1ccc(S(=O)(=O)n2cc(-c3csc(N)c3)c3cccnc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.40
PTPN11 Q06124 1/20 0.40
HTR6 P50406 5/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
KDM4E B2RXH2 1/20 0.37
UBE2N P61088 1/20 0.37
DRD2 P14416 2/20 0.36
HTR2A P28223 1/20 0.36
HTR7 P34969 1/20 0.36
NPY1R P25929 1/20 0.36
CKS1B P61024 1/20 0.36
SKP2 Q13309 1/20 0.36
POLB P06746 1/20 0.36
ALDH3A1 P30838 1/20 0.36

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
SCHEMBL10125130 0.84 L3MBTL1 (0.47) L3MBTL1PTPN11HTR6ALDH1A1LMNA
SCHEMBL4476225 0.83 L3MBTL1 (0.45) L3MBTL1PTGDR2PTPN11
SCHEMBL8944259 0.82 L3MBTL1 (0.67) L3MBTL1PTGDR2PTPN11HTR6ALDH1A1
SCHEMBL1666756 0.81 L3MBTL1 (0.48) L3MBTL1PTGDR2PTPN11HTR6KMT2A
SCHEMBL28149181 0.79 L3MBTL1 (0.53) L3MBTL1PTGDR2PTPN11HTR6LMNA
SCHEMBL13888089 0.79 RORC (0.41) L3MBTL1PTGDR2PTPN11
SCHEMBL12573392 0.79 L3MBTL1 (0.44) L3MBTL1PTGDR2PTPN11HTR6ALDH1A1
SCHEMBL29283842 0.78 PTPN11 (0.47) L3MBTL1PTGDR2PTPN11KMT2AMEN1
SCHEMBL20292779 0.78 L3MBTL1 (0.53) L3MBTL1PTGDR2PTPN11HTR6ALDH1A1
SCHEMBL1906556 0.78 L3MBTL1 (0.51) L3MBTL1PTGDR2PTPN11HTR6ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7514448-B2 Azaindoles useful as inhibitors of rock and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-04-07 US disclosed
US-7514448-B2 Azaindoles useful as inhibitors of rock and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-04-07 US disclosed
US-7514448-B2 Azaindoles useful as inhibitors of rock and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-04-07 US disclosed
EP-1756108-A2 AZAINDOLES USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2007-02-28 EP disclosed
US-20060003968-A1 Azaindoles useful as inhibitors of rock and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2006-01-05 US disclosed
WO-2005103050-A2 AZAINDOLES USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-11-03 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 (1 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-20060003968-A1 Azaindoles useful as inhibitors of rock and other protein kinases ROCK2, ROCK1, TNK2 L3MBTL1 3130/4885PTGDR2 1259/4885PTPN11 768/4885

“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.