SCHEMBL30998666

SCHEMBL30998666

CN(C)CC1(COc2nc(N3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)c3cc(F)c(Br)c(F)c3n2)CC1(F)F

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 12/20 0.40
▸ JAK1 P23458 3/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ TYK2 P29597 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ GPR119 Q8TDV5 3/20 0.33
▸ KCNK3 O14649 1/20 0.32
▸ KCNK9 Q9NPC2 1/20 0.32
▸ HDAC1 Q13547 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
SCHEMBL30998544 0.92 JAK1 (0.39) KRASJAK1JAK2TYK2JAK3
SCHEMBL29903158 0.90 KRAS (0.50) KRASJAK1JAK2TYK2JAK3
SCHEMBL23413758 0.90 KRAS (0.50) KRASJAK1JAK2TYK2JAK3
SCHEMBL29343966 0.89 JAK1 (0.40) KRASJAK1JAK2TYK2JAK3
SCHEMBL27053842 0.85 KRAS (0.41) KRASJAK1JAK2TYK2JAK3
SCHEMBL27053631 0.85 JAK1 (0.41) KRASJAK1JAK2TYK2JAK3
SCHEMBL29344397 0.83 KRAS (0.44) KRAS
SCHEMBL25818741 0.83 JAK1 (0.44) KRASJAK1JAK2TYK2JAK3
SCHEMBL30942230 0.83 KRAS (0.39) KRASJAK1JAK2TYK2JAK3
SCHEMBL23413429 0.83 KRAS (0.46) 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 1 patent. 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

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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