SCHEMBL29343955

SCHEMBL29343955

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 4/20 0.38
▸ CNR1 P21554 2/20 0.38
▸ PDE2A O00408 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SENP8 Q96LD8 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ SENP6 Q9GZR1 1/20 0.35
▸ APP P05067 5/20 0.35
▸ GABRA1 P14867 1/20 0.34
▸ GABRG2 P18507 1/20 0.34
▸ GABRB3 P28472 1/20 0.34
▸ GABRA5 P31644 1/20 0.34

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
SCHEMBL29343993 0.90 CNR2 (0.38) CNR2CNR1PDE2AALDH1A1LMNA
SCHEMBL29936828 0.90 CNR2 (0.38) CNR2CNR1PDE2AALDH1A1LMNA
SCHEMBL25165363 0.76 PIN1 (0.40) CNR2CNR1LMNAMAOBCDK2
SCHEMBL25164958 0.76 PTGES (0.40) CNR2CNR1MAOBHRH4
SCHEMBL25336522 0.74 PIN1 (0.39) CNR2CNR1MAOBHRH4CDK2
SCHEMBL29937168 0.74 CNR2 (0.40) CNR2CNR1PDE2AALDH1A1LMNA
SCHEMBL27209714 0.72 PIN1 (0.37) CNR2CNR1
SCHEMBL29799700 0.72 PDE2A (0.41) CNR2CNR1PDE2AALDH1A1LMNA
SCHEMBL27186566 0.72 PDE2A (0.41) CNR2CNR1PDE2AALDH1A1LMNA
SCHEMBL20980464 0.71 SMN1; SMN2 (0.44) CNR2CNR1PDE2AALDH1A1LMNA

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 4066/4885PDE2A 4045/4885

“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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