SCHEMBL22166377

SCHEMBL22166377

CC(C)(CCC(C)(C)c1cc2ccncc2s1)c1cnc2nccn2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.37
CYP2A6 P11509 2/20 0.34
CHEK1 O14757 1/20 0.31
AURKA O14965 1/20 0.31
DAPK3 O43293 1/20 0.31
PRKD3 O94806 1/20 0.31
MAP4K4 O95819 1/20 0.31
PAK4 O96013 1/20 0.31
ABL1 P00519 1/20 0.31
RET P07949 1/20 0.31
PIM1 P11309 1/20 0.31
FGFR1 P11362 1/20 0.31
PRKACA P17612 1/20 0.31
FLT1 P17948 1/20 0.31
LTK P29376 1/20 0.31
GRK5 P34947 1/20 0.31
KDR P35968 1/20 0.31
MAPK8 P45983 1/20 0.31
CSNK1A1 P48729 1/20 0.31
CDK8 P49336 1/20 0.31

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
SCHEMBL21451250 0.74 CYP2A6 (0.46) DYRK1ACYP2A6CHEK1AURKADAPK3
SCHEMBL1612382 0.67 CYP2A6 (0.50) DYRK1ACYP2A6CHEK1AURKADAPK3
SCHEMBL255066 0.66 DYRK1A (0.47) DYRK1A
SCHEMBL24997465 0.61 DYRK1A (0.49) DYRK1A
SCHEMBL19184776 0.60 DYRK1A (0.44) DYRK1A
SCHEMBL12689590 0.57 CYP2A6 (0.51) DYRK1ACYP2A6CHEK1AURKADAPK3
SCHEMBL12961000 0.57 DYRK1A (0.47) DYRK1A
SCHEMBL30711406 0.57 CYP2A6 (0.55) DYRK1ACYP2A6CHEK1AURKADAPK3
SCHEMBL965562 0.57 CYP2A6 (0.55) DYRK1ACYP2A6CHEK1AURKADAPK3
SCHEMBL12064452 0.56 CYP2A6 (0.69) DYRK1ACYP2A6CHEK1AURKADAPK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10696692-B2 Amido-benzyl sulfone and sulfoxide derivates Valo Health, LLC 2020-06-30 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 (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-10696692-B2 Amido-benzyl sulfone and sulfoxide derivates STS, SQOR, SULT1E1 DYRK1A 4311/4885CYP2A6 934/4885CHEK1 3280/4885

“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.