SCHEMBL23326814

SCHEMBL23326814

CC1CN(C(=O)OC(C)(C)C)Cc2cc(Oc3ccnc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)c(F)cc21

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ABHD6 Q9BV23 1/20 0.33
▸ IDO1 P14902 1/20 0.32
▸ CCNT1 O60563 3/20 0.31
▸ CDK9 P50750 3/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ USP30 Q70CQ3 2/20 0.30
▸ AOC3 Q16853 1/20 0.30
▸ MET P08581 1/20 0.30
▸ AXL P30530 1/20 0.30
▸ CFTR P13569 1/20 0.30

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
SCHEMBL23326759 0.90 MET (0.31) MET
SCHEMBL23327026 0.85 ESR2 (0.42) IDO1MAPK1
SCHEMBL23326826 0.83 ACACB (0.35) IDO1USP30METAXL
SCHEMBL23327039 0.76 KMT2A (0.36) MAPK1MET
SCHEMBL23326766 0.75 NR1H2 (0.47) ABHD6MAPK1METAXL
SCHEMBL23327015 0.73 HDAC8 (0.38) —
SCHEMBL21470423 0.72 ESR2 (0.41) IDO1MAPK1MET
SCHEMBL23327025 0.72 MET (0.32) MET
SCHEMBL23326998 0.70 GHSR (0.31) METAXL
SCHEMBL21470757 0.70 MET (0.32) MET

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-20210139484-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS GOSSAMER BIO SERVICES INC (US) 2021-05-13 — — 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-20210139484-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS ULK1, PHKG2, PHKG1 ABHD6 3806/4885IDO1 1815/4885CCNT1 1971/4885

“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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