SCHEMBL21285243

SCHEMBL21285243

Cc1cnn(C[C@H]2CCOC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.46
JAK2 O60674 3/20 0.39
JAK1 P23458 3/20 0.39
JAK3 P52333 3/20 0.39
IKBKE Q14164 2/20 0.38
TBK1 Q9UHD2 2/20 0.38
CYP11B2 P19099 1/20 0.37
CDC7 O00311 1/20 0.37
DAPK3 O43293 1/20 0.37
DYRK3 O43781 1/20 0.37
ROCK2 O75116 1/20 0.37
CDK1 P06493 1/20 0.37
RPS6KB1 P23443 1/20 0.37
CDK2 P24941 1/20 0.37
MAPK1 P28482 1/20 0.37
AKT1 P31749 1/20 0.37
CLK2 P49760 1/20 0.37
GSK3B P49841 1/20 0.37
CSNK2A1 P68400 1/20 0.37
CSNK1G2 P78368 1/20 0.37

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
SCHEMBL21258387 1.00 SCD (0.46) SCDJAK2JAK1JAK3IKBKE
SCHEMBL21227392 1.00 SCD (0.46) SCDJAK2JAK1JAK3IKBKE
SCHEMBL6937715 0.90 JAK2 (0.42) SCDJAK2JAK1JAK3CDC7
SCHEMBL23762953 0.87 CRHR1 (0.37) SCDJAK2JAK1JAK3CRHR1
SCHEMBL20696927 0.82 SCD (0.42) SCDJAK2JAK1JAK3IKBKE
SCHEMBL21245975 0.82 SCD (0.42) SCDJAK2JAK1JAK3IKBKE
SCHEMBL20696932 0.82 SCD (0.42) SCDJAK2JAK1JAK3IKBKE
SCHEMBL20696929 0.82 SCD (0.42) SCDJAK2JAK1JAK3IKBKE
SCHEMBL6936894 0.81 CRHR1 (0.46) JAK2JAK1JAK3CRHR1PIK3CA
SCHEMBL20688671 0.81 SCD (0.43) SCDJAK2JAK1JAK3IKBKE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10577373-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-03-03 US disclosed
US-20190256519-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-22 US 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-20190256519-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 SCD 2833/4885JAK2 2/4885JAK1 3/4885
US-10577373-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 SCD 2833/4885JAK2 2/4885JAK1 3/4885

“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.