SCHEMBL21950482

SCHEMBL21950482

CC(C)(C)Cn1nc(I)c2c(N)ncnc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.60
CYP1A2 P05177 2/20 0.60
KDM4E B2RXH2 1/20 0.60
TP53 P04637 1/20 0.60
CYP3A4 P08684 1/20 0.60
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
RET P07949 3/20 0.47
DYRK3 O43781 2/20 0.47
CDK1 P06493 2/20 0.47
ROS1 P08922 2/20 0.47
RPS6KB1 P23443 2/20 0.47
CDK2 P24941 2/20 0.47
CSNK1A1 P48729 2/20 0.47
CSNK1D P48730 2/20 0.47
CLK2 P49760 2/20 0.47
IRAK1 P51617 2/20 0.47
CDK5 Q00535 2/20 0.47
DYRK1A Q13627 2/20 0.47

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
SCHEMBL17962768 0.88 RET (0.53) MAPK1CYP1A2KDM4ETP53CYP3A4
SCHEMBL17962836 0.86 PRKD3 (0.54) MAPK1CYP1A2KDM4ETP53CYP3A4
SCHEMBL17962793 0.84 KCNH2 (0.48) MAPK1CYP1A2KDM4ETP53CYP3A4
SCHEMBL868744 0.83 PIK3CD (0.51) MAPK1CYP1A2KDM4ETP53CYP3A4
SCHEMBL17963689 0.80 RET (0.46) MAPK1CYP1A2KDM4ETP53CYP3A4
SCHEMBL4572201 0.80 RET (0.48) MAPK1RETDYRK3CDK1ROS1
SCHEMBL17962785 0.79 FYN (0.49) MAPK1RETDYRK3CDK1ROS1
SCHEMBL17936088 0.79 MAPK1 (0.47) MAPK1CYP1A2KDM4ETP53CYP3A4
SCHEMBL16701523 0.78 ADK (0.49) MAPK1RETDYRK3CDK1ROS1
SCHEMBL21293809 0.78 ADORA2A (0.48) MAPK1RETDYRK3CDK1ROS1

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-10632122-B2 Compositions and methods for treating toxoplasmosis, cryptosporidiosis and other apicomplexan protozoan related diseases UNIVERSITY OF WASHINGTON (US) 2020-04-28 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-10632122-B2 Compositions and methods for treating toxoplasmosis, cryptosporidiosis and other apicomplexan protozoan related diseases PNCK, TXK, CAMKK1 MAPK1 678/4885CYP1A2 2735/4885KDM4E 2532/4885

“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.