SCHEMBL29310217

SCHEMBL29310217

COCc1cc(Nc2ncc(C#N)c(Nc3cccc(N4CCCC4=O)n3)n2)ccc1N1CCN(C)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PKMYT1 Q99640 2/20 0.49
▸ SLC2A1 P11166 2/20 0.47
▸ PAK1 Q13153 5/20 0.43
▸ WEE1 P30291 6/20 0.43
▸ TNK2 Q07912 1/20 0.41
▸ JAK2 O60674 1/20 0.40
▸ BRD4 O60885 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ BRD2 P25440 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ BRD3 Q15059 1/20 0.40
▸ BRDT Q58F21 1/20 0.40
▸ PTK2 Q05397 1/20 0.39
▸ TNIK Q9UKE5 1/20 0.39
▸ SYK P43405 1/20 0.39
▸ LRRK2 Q5S007 1/20 0.38

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
SCHEMBL30997621 1.00 PKMYT1 (0.49) PKMYT1SLC2A1PAK1WEE1TNK2
SCHEMBL30997676 0.89 WEE1 (0.42) PKMYT1SLC2A1WEE1TNK2JAK2
SCHEMBL29310210 0.89 WEE1 (0.42) PKMYT1SLC2A1WEE1TNK2JAK2
SCHEMBL29310117 0.84 SLC2A1 (0.57) PKMYT1SLC2A1WEE1TNK2JAK2
SCHEMBL30997622 0.84 SLC2A1 (0.57) PKMYT1SLC2A1WEE1TNK2JAK2
SCHEMBL29310236 0.82 BTK (0.49) PKMYT1SLC2A1WEE1TNK2SYK
SCHEMBL29310230 0.82 WEE1 (0.48) SLC2A1WEE1TNK2SYK
SCHEMBL30997635 0.81 WEE1 (0.49) PKMYT1SLC2A1WEE1TNK2JAK2
SCHEMBL29310208 0.81 WEE1 (0.49) PKMYT1SLC2A1WEE1TNK2JAK2
SCHEMBL29310224 0.79 SLC2A1 (0.41) PKMYT1SLC2A1WEE1TNK2JAK2

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 2 patents. 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
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 PKMYT1 1740/4885SLC2A1 4591/4885PAK1 482/4885

“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.

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