SCHEMBL20092121

SCHEMBL20092121

CN(c1cc(-c2cn(C)cn2)ccc1N)S(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 2/20 0.46
CYP2E1 P05181 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2B6 P20813 1/20 0.40
CYP2C19 P33261 1/20 0.40
LOXL2 Q9Y4K0 2/20 0.38
LRRK2 Q5S007 1/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
MAPT P10636 1/20 0.34
KAT6A Q92794 2/20 0.34
GAA P10253 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
CYP19A1 P11511 1/20 0.33
EGFR P00533 1/20 0.33
FGFR1 P11362 1/20 0.33
KDR P35968 1/20 0.33
KCNH2 Q12809 1/20 0.33
HDAC1 Q13547 1/20 0.33

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
SCHEMBL20092811 0.80 KEAP1 (0.46) TYK2ALOX5APFEN1MAPTCYP19A1
SCHEMBL20093051 0.78 TYK2 (0.44) TYK2ALOX5APFEN1MAPTGAA
SCHEMBL20092109 0.78 SYK (0.48) TYK2CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL20092236 0.76 TYK2 (0.45) TYK2HDAC1
SCHEMBL20092191 0.75 TYK2 (0.48) TYK2ALOX5APFEN1
SCHEMBL20092864 0.75 TYK2 (0.48) TYK2ALOX5APFEN1PIK3C3BRD4
SCHEMBL20092567 0.75 TYK2 (0.47) TYK2ALOX5APFEN1MAPTCYP19A1
SCHEMBL20092097 0.74 TYK2 (0.45) TYK2ALOX5APFEN1MAPTIRAK4
SCHEMBL20092155 0.73 TYK2 (0.45) TYK2ALOX5APFEN1PIK3C3MEN1
SCHEMBL22652215 0.72 ALDH1A1 (0.53) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19

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 TYK2 1/4885CYP2E1 4619/4885CYP2A6 4488/4885
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TYK2 1/4885CYP2E1 4619/4885CYP2A6 4488/4885
US-10647713-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 TYK2 1/4885CYP2E1 4619/4885CYP2A6 4488/4885

“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.