SCHEMBL29343993

SCHEMBL29343993

COc1ccc(COc2nc(Cl)nc3c(F)c(Br)c(Cl)cc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 3/20 0.38
▸ CNR1 P21554 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ APP P05067 6/20 0.36
▸ PDE2A O00408 1/20 0.35
▸ MAOB P27338 3/20 0.34
▸ DHODH Q02127 1/20 0.34
▸ HRH4 Q9H3N8 1/20 0.34
▸ CCNE2 O96020 1/20 0.34
▸ CCNE1 P24864 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL29936828 1.00 CNR2 (0.38) CNR2CNR1ALDH1A1LMNAHTT
SCHEMBL29343955 0.90 CNR2 (0.38) CNR2CNR1ALDH1A1LMNAHTT
SCHEMBL25164958 0.86 PTGES (0.40) CNR2CNR1MAOBHRH4
SCHEMBL25337225 0.80 CYP1A2 (0.32) —
SCHEMBL29343992 0.79 KRAS (0.36) CNR2CNR1
SCHEMBL25165363 0.77 PIN1 (0.40) CNR2CNR1LMNAMAOBCDK2
SCHEMBL25550180 0.76 SCN9A (0.32) —
SCHEMBL25336522 0.75 PIN1 (0.39) CNR2CNR1MAOBHRH4CDK2
SCHEMBL29937168 0.75 CNR2 (0.40) CNR2CNR1ALDH1A1LMNAHTT
SCHEMBL25337045 0.75 ADORA2A (0.33) —

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 CNR2 4252/4885CNR1 4066/4885ALDH1A1 2871/4885

“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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