SCHEMBL22430336

SCHEMBL22430336

Nc1ncnc2c1c(I)nn2I

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 8/20 0.51
▸ DYRK3 O43781 3/20 0.51
▸ RPS6KB1 P23443 3/20 0.51
▸ CSNK1A1 P48729 3/20 0.51
▸ CSNK1D P48730 3/20 0.51
▸ CLK2 P49760 3/20 0.51
▸ IRAK1 P51617 3/20 0.51
▸ DYRK1A Q13627 3/20 0.51
▸ SLK Q9H2G2 3/20 0.51
▸ CLK4 Q9HAZ1 3/20 0.51
▸ SRC P12931 3/20 0.51
▸ CDK1 P06493 2/20 0.51
▸ ROS1 P08922 2/20 0.51
▸ CDK2 P24941 2/20 0.51
▸ CDK5 Q00535 2/20 0.51
▸ NTRK3 Q16288 2/20 0.51
▸ JAK2 O60674 2/20 0.51
▸ PRKD3 O94806 2/20 0.51
▸ MAP4K4 O95819 2/20 0.51
▸ PRKACA P17612 2/20 0.51

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
SCHEMBL22748995 0.81 DYRK3 (0.51) ADKDYRK3RPS6KB1CSNK1A1CSNK1D
SCHEMBL23057505 0.81 EGFR (0.41) ADKDYRK3RPS6KB1CSNK1A1CSNK1D
SCHEMBL29503435 0.79 SRC (0.50) ADKDYRK3RPS6KB1CSNK1A1CSNK1D
SCHEMBL13218401 0.79 SRC (0.50) ADKDYRK3RPS6KB1CSNK1A1CSNK1D
SCHEMBL130592 0.79 SRC (0.50) ADKDYRK3RPS6KB1CSNK1A1CSNK1D
SCHEMBL29201238 0.79 DYRK1A (0.50) ADKDYRK3RPS6KB1CSNK1A1CSNK1D
SCHEMBL29503436 0.79 SRC (0.50) ADKDYRK3RPS6KB1CSNK1A1CSNK1D
SCHEMBL21362196 0.75 ATG7 (0.43) ADKDYRK3RPS6KB1CSNK1A1CSNK1D
SCHEMBL15471369 0.75 SRC (0.58) RPS6KB1CSNK1A1CSNK1DCLK2SLK
SCHEMBL868744 0.75 PIK3CD (0.51) ADKDYRK3RPS6KB1CSNK1A1CSNK1D

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 ADK 2654/4885DYRK3 3682/4885RPS6KB1 3438/4885
US-11208411-B2 Compositions and methods for treating parasitic diseases LIPA, LSS, LIPC ADK 2654/4885DYRK3 3682/4885RPS6KB1 3438/4885

“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.

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