SCHEMBL23326826

SCHEMBL23326826

CC1CN(C(=O)OC(C)(C)C)Cc2cc(Oc3ccnc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cnc21

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 1/20 0.35
▸ MET P08581 1/20 0.32
▸ AXL P30530 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ NR1H2 P55055 1/20 0.32
▸ ROCK2 O75116 1/20 0.31
▸ GPR119 Q8TDV5 7/20 0.31
▸ SCN9A Q15858 1/20 0.31
▸ USP30 Q70CQ3 1/20 0.31
▸ CCNK O75909 1/20 0.30
▸ CDK12 Q9NYV4 1/20 0.30
▸ POLR1A O95602 1/20 0.30
▸ RORC P51449 1/20 0.30
▸ IDO1 P14902 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ NAMPT P43490 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
SCHEMBL23327025 0.89 MET (0.32) MET
SCHEMBL21470447 0.87 ACACB (0.34) ACACBMETAXLESR2NR1H2
SCHEMBL23326766 0.83 NR1H2 (0.47) ACACBMETAXLESR2NR1H2
SCHEMBL23326814 0.83 ABHD6 (0.33) METAXLUSP30IDO1
SCHEMBL23327015 0.81 HDAC8 (0.38) —
SCHEMBL21470757 0.76 MET (0.32) ACACBMET
SCHEMBL23327026 0.75 ESR2 (0.42) ACACBESR2NR1H2IDO1
SCHEMBL21470769 0.74 HTR6 (0.41) GPR119NAMPT
SCHEMBL23326809 0.73 MET (0.33) MET
SCHEMBL23326690 0.73 HRH3 (0.37) METESR2

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 ACACB 584/4885MET 1391/4885AXL 4579/4885

“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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