SCHEMBL23869745

SCHEMBL23869745

CC(C)c1ccc(-n2cnc3c(N)ncnc32)cc1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 15/20 0.71
PI4K2B Q8TCG2 15/20 0.71
PI4K2A Q9BTU6 15/20 0.71
PI4KB Q9UBF8 15/20 0.71
EGFR P00533 1/20 0.66
ADORA2A P29274 6/20 0.53
ADORA1 P30542 6/20 0.53
ADORA2B P29275 3/20 0.53
PTK2 Q05397 1/20 0.42
PTK2B Q14289 1/20 0.42

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
SCHEMBL25311191 0.90 PI4KA (0.65) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL25311189 0.90 PI4KA (0.65) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL3538512 0.86 PI4KA (0.77) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL23869832 0.84 PI4KA (0.52) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL21638051 0.83 PI4KA (0.72) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL25311025 0.81 PI4KA (0.56) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL25311020 0.81 PI4KA (0.56) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL23291064 0.80 PI4KA (0.72) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL5146335 0.80 PI4KA (1.00) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL23869679 0.79 PI4KA (1.00) PI4KAPI4K2BPI4K2API4KBEGFR

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-20210299095-A1 METHOD OF MODULATING RIBONUCLEOTIDE REDUCTASE CASE WESTERN RESERVE UNIVERSITY 2021-09-30 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-20210299095-A1 METHOD OF MODULATING RIBONUCLEOTIDE REDUCTASE RRM2, RRM2B, RRM1 PI4KA 3742/4885PI4K2B 3616/4885PI4K2A 3418/4885

“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.