SCHEMBL3355302

SCHEMBL3355302

NC(=O)c1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ncccc23)cs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.45
CYP2C19 P33261 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
ATP4A P20648 2/20 0.39
ATP4B P51164 2/20 0.39
KMT2A Q03164 1/20 0.39
CCNE1 P24864 2/20 0.39
CDK2 P24941 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
AKT1 P31749 1/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 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
SCHEMBL4584452 0.83 HTR6 (0.44) HTR6CYP2C19CCNCCDK8CCNE1
SCHEMBL3355309 0.82 HTR6 (0.46) HTR6CYP2C19CA12CA1CA2
SCHEMBL13332928 0.78 HTR6 (0.50) HTR6CYP2C19CA12CA1CA2
SCHEMBL8240222 0.78 RORC (0.42) HTR6CYP2C19
SCHEMBL3348270 0.77 CYP2C19 (0.43) HTR6CYP2C19CA12CA1CA2
SCHEMBL4476225 0.77 L3MBTL1 (0.45) PTGDR2L3MBTL1
SCHEMBL4478038 0.76 L3MBTL1 (0.46) HTR6CA12CA1CA2CA9
SCHEMBL1585429 0.76 HTR6 (0.47) HTR6CYP2C19CA12CA1CA2
SCHEMBL4583354 0.76 HTR6 (0.42) HTR6CYP2C19CA12CA1CA2
SCHEMBL2529105 0.75 HTR6 (0.51) HTR6CYP2C19CA12CA1CA2

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-20180370966-A1 METHODS OF TREATMENT USING PYRIDINONYL PDK1 INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2018-12-27 US disclosed
US-9873693-B2 Methods of treatment using pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2018-01-23 US disclosed
US-8778977-B2 Pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2014-07-15 US disclosed
EP-2038272-B1 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHARMACEUTICALS INC (US) 2013-09-04 EP disclosed
US-20100144730-A1 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHAMACEUTICALS (US) 2010-06-10 US disclosed
EP-2038272-A2 PYRIDINONYL PDK1 INHIBITORS Sunesis Pharmaceuticals, Inc. (US) 2009-03-25 EP disclosed
WO-2008005457-A2 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHARMACEUTICALS (US) 2008-01-10 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-20180370966-A1 METHODS OF TREATMENT USING PYRIDINONYL PDK1 INHIBITORS PDK1, PDK2, PDK3 HTR6 3526/4885CYP2C19 4374/4885CA12 4653/4885
US-20100144730-A1 PYRIDINONYL PDK1 INHIBITORS PDK1, PDK2, PDK3 HTR6 3941/4885CYP2C19 3922/4885CA12 4743/4885

“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.