SCHEMBL27186566

SCHEMBL27186566

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 1/20 0.41
▸ APP P05067 6/20 0.39
▸ CNR2 P34972 3/20 0.37
▸ CNR1 P21554 2/20 0.37
▸ PKM P14618 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ GABRA1 P14867 1/20 0.34
▸ GABRG2 P18507 1/20 0.34
▸ GABRB3 P28472 1/20 0.34
▸ GABRA5 P31644 1/20 0.34
▸ GABRA3 P34903 1/20 0.34
▸ GABRA2 P47869 1/20 0.34
▸ CYP17A1 P05093 1/20 0.34
▸ MAOB P27338 2/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ CASP3 P42574 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
SCHEMBL29799700 1.00 PDE2A (0.41) PDE2AAPPCNR2CNR1PKM
SCHEMBL27187159 0.84 PDE2A (0.39) PDE2AAPPCNR2CNR1PKM
SCHEMBL27186791 0.84 PDE2A (0.39) PDE2AAPPCNR2CNR1PKM
SCHEMBL29799723 0.84 PDE2A (0.39) PDE2AAPPCNR2CNR1PKM
SCHEMBL29799721 0.84 PDE2A (0.39) PDE2AAPPCNR2CNR1PKM
SCHEMBL27186677 0.77 CNR2 (0.41) PDE2AAPPCNR2CNR1ALDH1A1
SCHEMBL27186549 0.76 PDE2A (0.38) PDE2AAPPCNR2CNR1ALDH1A1
SCHEMBL27187150 0.75 HDAC1 (0.38) PDE2ACNR2CNR1ALDH1A1LMNA
SCHEMBL29343955 0.72 CNR2 (0.38) PDE2AAPPCNR2CNR1ALDH1A1
SCHEMBL30739001 0.72 PDE2A (0.39) PDE2AAPPCNR2CNR1ALDH1A1

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-20240109891-A1 NOVEL SUBSTITUTED TRICYCLIC AZA-HETEROCYCLES AS SOS1 INHIBITORS VIVA STAR BIOSCIENCES (SUZHOU) CO., LTD. (CN) 2024-04-04 — — US disclosed
WO-2022187236-A1 NOVEL SUBSTITUTED TRICYCLIC AZA-HETEROCYCLES AS SOS1 INHIBITORS VIVA STAR BIOSCIENCES (SUZHOU) CO., LTD. (CN) 2022-09-09 — — WO 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-20240109891-A1 NOVEL SUBSTITUTED TRICYCLIC AZA-HETEROCYCLES AS SOS1 INHIBITORS SOS1, SOS2, KSR1 PDE2A 4073/4885APP 3219/4885CNR2 3762/4885

“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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