SCHEMBL23085201

SCHEMBL23085201

CNc1ccc2ncnc(N)c2c1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 13/20 0.51
EGFR P00533 4/20 0.51
ERBB2 P04626 3/20 0.51
PI4KA P42356 2/20 0.48
PI4K2B Q8TCG2 2/20 0.48
PI4K2A Q9BTU6 2/20 0.48
PI4KB Q9UBF8 2/20 0.48
IP6K1 Q92551 1/20 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
SCHEMBL22417147 0.86 MAP4K4 (0.49) MAP4K4PI4KAPI4K2BPI4K2API4KB
SCHEMBL10967457 0.79 LIMK1 (0.52) MAP4K4
SCHEMBL17665860 0.78 MAP4K4 (0.61) MAP4K4
SCHEMBL10969193 0.76 MAP4K4 (0.76) MAP4K4EGFR
SCHEMBL14536930 0.76 MAP4K4 (0.76) MAP4K4EGFR
SCHEMBL10970822 0.76 MAP4K4 (0.58) MAP4K4EGFR
SCHEMBL685458 0.76 MAP4K4 (0.68) MAP4K4PI4KAPI4K2BPI4K2API4KB
SCHEMBL31216400 0.76 MAP4K4 (0.68) MAP4K4PI4KAPI4K2BPI4K2API4KB
SCHEMBL179504 0.75 MAP4K4 (0.51) MAP4K4PI4KAPI4K2BPI4K2API4KB
SCHEMBL4692556 0.75 MAP4K4 (0.66) MAP4K4EGFRPI4KAPI4K2BPI4K2A

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-20210070752-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS VIRACTA THERAPEUTICS, INC. 2021-03-11 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-20210070752-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS PDK1, PDK2, PDK3 MAP4K4 147/4885EGFR 2844/4885ERBB2 1845/4885

“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.