SCHEMBL20092811

SCHEMBL20092811

CN(c1cc(-c2ccn(C)n2)ccc1N)S(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.46
TYK2 P29597 6/20 0.45
PIK3CD O00329 1/20 0.42
PIP5K1C O60331 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
PI4KA P42356 1/20 0.42
PIK3CG P48736 1/20 0.42
PI4KB Q9UBF8 1/20 0.42
KMT2A Q03164 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
ALOX5AP P20292 2/20 0.36
FEN1 P39748 2/20 0.36
SCN4A P35499 1/20 0.35
CYP19A1 P11511 2/20 0.34
ADORA2A P29274 1/20 0.33
IKBKE Q14164 1/20 0.33
TBK1 Q9UHD2 1/20 0.33
KDM2B Q8NHM5 1/20 0.32

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
SCHEMBL20093051 0.82 TYK2 (0.44) TYK2ALOX5APFEN1MAPT
SCHEMBL20092121 0.80 TYK2 (0.46) TYK2KMT2AALOX5APFEN1CYP19A1
SCHEMBL20092097 0.78 TYK2 (0.45) TYK2PIK3CAPIK3CGKMT2AALOX5AP
SCHEMBL20092236 0.77 TYK2 (0.45) TYK2PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL20093214 0.77 KEAP1 (0.51) KEAP1TYK2PIK3CDPIP5K1CPIK3CA
SCHEMBL20092155 0.76 TYK2 (0.45) TYK2KMT2AALOX5APFEN1
SCHEMBL18985959 0.74 KEAP1 (0.63) KEAP1PIK3CDPIP5K1CPIK3CAPIK3CB
SCHEMBL20092567 0.74 TYK2 (0.47) TYK2PIK3CDALOX5APFEN1CYP19A1
SCHEMBL20092864 0.74 TYK2 (0.48) TYK2ALOX5APFEN1
SCHEMBL20092191 0.74 TYK2 (0.48) TYK2ALOX5APFEN1

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-20210094948-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-04-01 US disclosed
US-10647713-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2020-05-12 US disclosed
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-17 US disclosed
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-17 US disclosed
WO-2018075937-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2018-04-26 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 (3 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-20210094948-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 KEAP1 2013/4885TYK2 1/4885PIK3CD 961/4885
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 KEAP1 2013/4885TYK2 1/4885PIK3CD 961/4885
US-10647713-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 KEAP1 2013/4885TYK2 1/4885PIK3CD 961/4885

“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.