SCHEMBL30997606

SCHEMBL30997606

CN1CCC(c2ccc(Nc3ncc(C#N)c(Nc4cccc(N5CCCC5=O)n4)n3)cc2)CC1=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 1/20 0.39
▸ WEE1 P30291 6/20 0.38
▸ SLC2A1 P11166 2/20 0.38
▸ AURKA O14965 1/20 0.38
▸ LRRK2 Q5S007 1/20 0.38
▸ BTK Q06187 1/20 0.37
▸ BRD4 O60885 2/20 0.36
▸ PLK1 P53350 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ LCK P06239 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ SYK P43405 1/20 0.36
▸ MAPK8 P45983 1/20 0.36
▸ MAPK9 P45984 1/20 0.36
▸ MAPK10 P53779 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ STAT6 P42226 1/20 0.36
▸ TBK1 Q9UHD2 1/20 0.35

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
SCHEMBL29310220 1.00 MAP4K1 (0.39) MAP4K1WEE1SLC2A1AURKALRRK2
SCHEMBL29310229 0.83 SLC2A1 (0.47) WEE1SLC2A1AURKALRRK2BTK
SCHEMBL30997639 0.83 SLC2A1 (0.47) WEE1SLC2A1AURKALRRK2BTK
SCHEMBL30997635 0.83 WEE1 (0.49) WEE1SLC2A1BRD4SYKTBK1
SCHEMBL29310208 0.83 WEE1 (0.49) WEE1SLC2A1BRD4SYKTBK1
SCHEMBL30997622 0.82 SLC2A1 (0.57) WEE1SLC2A1AURKALRRK2BTK
SCHEMBL29310117 0.82 SLC2A1 (0.57) WEE1SLC2A1AURKALRRK2BTK
SCHEMBL29310230 0.81 WEE1 (0.48) WEE1SLC2A1BTKPLK1EGFR
SCHEMBL29310236 0.81 BTK (0.49) WEE1SLC2A1BTKPLK1EGFR
SCHEMBL30997676 0.80 WEE1 (0.42) MAP4K1WEE1SLC2A1LRRK2SYK

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 MAP4K1 866/4885WEE1 1/4885SLC2A1 4591/4885

“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