SCHEMBL20092236

SCHEMBL20092236

CN(c1cc(-c2cnn(C)c2)ccc1N)S(C)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 11/20 0.45
PIM1 P11309 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PI4KA P42356 1/20 0.43
PIK3CG P48736 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
AURKA O14965 1/20 0.43
TTK P33981 1/20 0.43
AURKB Q96GD4 1/20 0.43
INCENP Q9NQS7 1/20 0.43
KDM1A O60341 1/20 0.41
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40

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
SCHEMBL20150151 0.80 ERN1 (0.45) TYK2PIM1PIM2CCNCCDK8
SCHEMBL24444206 0.79 PIK3CD (0.48) PIM1PIM2PIK3CDPIK3CAPIK3CB
SCHEMBL17785817 0.78 PIK3CD (0.47) PIM1PIM2PIK3CDPIK3CAPIK3CB
SCHEMBL20092811 0.77 KEAP1 (0.46) TYK2PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL20092304 0.77 CYP11B2 (0.41) TYK2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL20092097 0.77 TYK2 (0.45) TYK2PIK3CAPIK3CGPRMT5WDR77
SCHEMBL20092121 0.76 TYK2 (0.46) TYK2HDAC1
SCHEMBL20092567 0.75 TYK2 (0.47) TYK2PIK3CDTTK
SCHEMBL20092864 0.75 TYK2 (0.48) TYK2
SCHEMBL20092191 0.75 TYK2 (0.48) TYK2PRMT5WDR77

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 1/4885PIM1 244/4885PIM2 162/4885
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TYK2 1/4885PIM1 244/4885PIM2 162/4885
US-10647713-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 TYK2 1/4885PIM1 244/4885PIM2 162/4885

“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.