SCHEMBL22430402

SCHEMBL22430402

CC(C)C(C)c1c[nH]c2cnccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 11/20 0.49
NFATC1 O95644 6/20 0.49
GSK3B P49841 4/20 0.49
CDK2 P24941 2/20 0.43
DYRK1B Q9Y463 2/20 0.43
PDPK1 O15530 1/20 0.43
TGFBR1 P36897 1/20 0.43
IKBKE Q14164 1/20 0.43
FFAR1 O14842 1/20 0.42
GPR84 Q9NQS5 1/20 0.42
IGF1R P08069 1/20 0.41
HTR2A P28223 2/20 0.39
PIP4K2A P48426 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
IKBKB O14920 1/20 0.37
AURKA O14965 1/20 0.37
CHUK O15111 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL2611046 0.86 DYRK1A (0.51) DYRK1ANFATC1GSK3BCDK2DYRK1B
SCHEMBL14827561 0.83 DYRK1A (0.46) DYRK1ANFATC1GSK3BCDK2DYRK1B
SCHEMBL12491378 0.83 DYRK1A (0.49) DYRK1ANFATC1GSK3BCDK2DYRK1B
SCHEMBL19114812 0.80 DYRK1A (0.46) DYRK1ANFATC1GSK3BCDK2DYRK1B
SCHEMBL14663984 0.79 DYRK1A (0.45) DYRK1ANFATC1GSK3BCDK2DYRK1B
SCHEMBL14665066 0.76 DYRK1A (0.45) DYRK1ANFATC1GSK3BCDK2DYRK1B
SCHEMBL26873725 0.74 GUSB (0.46) DYRK1ANFATC1GSK3BCDK2DYRK1B
SCHEMBL19111216 0.74 GPR84 (0.72) FFAR1GPR84HTR2AKDM4EALDH1A1
SCHEMBL26873731 0.73 MAPT (0.48) DYRK1ANFATC1GSK3BCDK2DYRK1B
SCHEMBL2619228 0.72 DYRK1A (0.56) DYRK1ANFATC1GSK3BCDK2DYRK1B

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-11208411-B2 Compositions and methods for treating parasitic diseases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-12-28 US disclosed
US-20200291030-A1 COMPOSITIONS AND METHODS FOR TREATING PARASITIC DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-09-17 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-20200291030-A1 COMPOSITIONS AND METHODS FOR TREATING PARASITIC DISEASES LIPA, LSS, LIPC DYRK1A 3323/4885NFATC1 1341/4885GSK3B 1348/4885
US-11208411-B2 Compositions and methods for treating parasitic diseases LIPA, LSS, LIPC DYRK1A 3323/4885NFATC1 1341/4885GSK3B 1348/4885

“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.