SCHEMBL29343969

SCHEMBL29343969

CC(C)(C)OC(=O)N1C2CCC1CN(c1nc(OCC3(CN4CC[C@@H](F)C4)CC3)nc3c(F)cc(F)cc13)C2

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 11/20 0.42
▸ JAK1 P23458 3/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ TYK2 P29597 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ GPR119 Q8TDV5 3/20 0.36
▸ NTRK1 P04629 1/20 0.34
▸ HDAC1 Q13547 1/20 0.33
▸ KCNK3 O14649 1/20 0.32
▸ KCNK9 Q9NPC2 1/20 0.32

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
SCHEMBL29937018 0.90 KRAS (0.38) KRASJAK1JAK2TYK2JAK3
SCHEMBL29343959 0.90 KRAS (0.38) KRASJAK1JAK2TYK2JAK3
SCHEMBL29345717 0.90 KRAS (0.40) KRASJAK1JAK2TYK2JAK3
SCHEMBL29343984 0.90 KRAS (0.43) KRASJAK1JAK2TYK2JAK3
SCHEMBL30998503 0.87 KRAS (0.40) KRAS
SCHEMBL29343970 0.87 KRAS (0.40) KRAS
SCHEMBL29343989 0.87 KRAS (0.46) KRASJAK1JAK2TYK2JAK3
SCHEMBL29343965 0.86 KRAS (0.47) KRASJAK1JAK2TYK2JAK3
SCHEMBL25645046 0.85 KRAS (0.44) KRASJAK1JAK2TYK2JAK3
SCHEMBL25645047 0.84 KRAS (0.43) KRASJAK1JAK2TYK2JAK3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 — — US disclosed
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 — — US disclosed
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 — — 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-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT KRAS, NRAS, HRAS KRAS 1/4885JAK1 1197/4885JAK2 236/4885

“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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