SCHEMBL22482230

SCHEMBL22482230

CC(C)(C)OC(=O)N1CCc2snc(C(=O)NCCC(F)(F)F)c2C1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.39
GRAMD1A Q96CP6 1/20 0.36
ACKR3 P25106 1/20 0.35
PRKCI P41743 1/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
SCN9A Q15858 1/20 0.35
ESR2 Q92731 1/20 0.34
MKNK1 Q9BUB5 5/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
TGM2 P21980 1/20 0.34
NR1H2 P55055 1/20 0.34
GCK P35557 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
SCHEMBL22482286 0.86 ADORA1 (0.37) ADORA1GRAMD1APRKCISCN9AESR2
SCHEMBL22481978 0.80 HSP90AA1 (0.45) HDAC1HDAC6MAPT
SCHEMBL22482006 0.80 RBP4 (0.41) GSK3BDYRK1A
SCHEMBL22482233 0.79 ADORA1 (0.52) ADORA1GRAMD1ASCN9AESR2MKNK1
SCHEMBL22482028 0.77 ADORA1 (0.56) ADORA1ESR2KDM4EMAPTNR1H2
SCHEMBL10413878 0.74 ADORA1 (0.48) ADORA1GRAMD1ASCN9AESR2MKNK1
SCHEMBL22482123 0.72 GSK3B (0.38) GSK3BDYRK1A
SCHEMBL22482231 0.71 ADORA1 (0.45) ADORA1ESR2MKNK1KDM4EMAPT
SCHEMBL22482203 0.66 CDK5 (0.44) KDM4E
SCHEMBL6424372 0.65 ADORA1 (0.53) ADORA1GRAMD1AESR2MKNK1KDM4E

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-20220119419-A1 BYCYCLIC JAK INHIBITORS AND USES THEREOF INSILICO MEDICINE IP LIMITED (HK) 2022-04-21 US disclosed
WO-2020198583-A1 BICYCLIC JAK INHIBITORS AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2020-10-01 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 (1 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-20220119419-A1 BYCYCLIC JAK INHIBITORS AND USES THEREOF JAK1, JAK2, JAK3 ADORA1 3877/4885GRAMD1A 3949/4885ACKR3 1919/4885

“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.