SCHEMBL30997604

SCHEMBL30997604

CN1CCc2cc(Nc3ncc(C#N)c(Nc4cccc(N5CCOC5=O)n4)n3)cc(Cl)c2C1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ WEE1 P30291 5/20 0.44
▸ MAP4K1 Q92918 1/20 0.40
▸ LRRK2 Q5S007 1/20 0.38
▸ AXL P30530 2/20 0.38
▸ BTK Q06187 2/20 0.37
▸ PLK1 P53350 1/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ SLC2A1 P11166 2/20 0.37
▸ SYK P43405 1/20 0.37
▸ IDH1 O75874 1/20 0.36
▸ PAK1 Q13153 1/20 0.36
▸ PKMYT1 Q99640 2/20 0.36
▸ TNK2 Q07912 1/20 0.36

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
SCHEMBL29310128 1.00 WEE1 (0.44) WEE1MAP4K1LRRK2AXLBTK
SCHEMBL29310127 0.89 WEE1 (0.48) WEE1MAP4K1AXLBTKPLK1
SCHEMBL30997668 0.89 WEE1 (0.48) WEE1MAP4K1AXLBTKPLK1
SCHEMBL30997619 0.88 WEE1 (0.43) WEE1LRRK2AXLBTKPLK1
SCHEMBL29310241 0.88 WEE1 (0.43) WEE1LRRK2AXLBTKPLK1
SCHEMBL29310234 0.80 SLC2A1 (0.42) WEE1MAP4K1LRRK2BTKPLK1
SCHEMBL30997656 0.79 WEE1 (0.48) WEE1SLC2A1SYKPKMYT1TNK2
SCHEMBL29310126 0.79 WEE1 (0.48) WEE1SLC2A1SYKPKMYT1TNK2
SCHEMBL29310355 0.78 TYK2 (0.45) WEE1MAP4K1TYK2SYKIDH1
SCHEMBL29310236 0.77 BTK (0.49) WEE1AXLBTKPLK1SLC2A1

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-20240228459-A1 WEE1 INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2024-07-11 — — 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-20240228459-A1 WEE1 INHIBITORS AND USES THEREOF WEE1, WEE2, DCLRE1B WEE1 1/4885MAP4K1 866/4885LRRK2 1650/4885

“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.

Send feedback