SCHEMBL23327026

SCHEMBL23327026

CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Oc3cc4c(cc3F)CCN(C(=O)OC(C)(C)C)C4)ccnc21

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.42
▸ NR1H2 P55055 1/20 0.41
▸ MAP3K5 Q99683 5/20 0.40
▸ MAPT P10636 1/20 0.35
▸ HCRTR2 O43614 3/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ JAK2 O60674 2/20 0.34
▸ JAK3 P52333 2/20 0.34
▸ PTK2 Q05397 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ACACB O00763 1/20 0.34
▸ DDB1 Q16531 1/20 0.33
▸ CRBN Q96SW2 1/20 0.33
▸ HPGDS O60760 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
SCHEMBL23327039 0.89 KMT2A (0.36) MAPTHCRTR2MAPK1MEN1KMT2A
SCHEMBL23326766 0.87 NR1H2 (0.47) ESR2NR1H2MAP3K5MAPTJAK2
SCHEMBL21470423 0.86 ESR2 (0.41) ESR2NR1H2MAP3K5MAPTHCRTR2
SCHEMBL23326814 0.85 ABHD6 (0.33) IDO1MAPK1
SCHEMBL23326759 0.75 MET (0.31) —
SCHEMBL23326690 0.75 HRH3 (0.37) ESR2MEN1KMT2A
SCHEMBL23326826 0.75 ACACB (0.35) ESR2NR1H2IDO1ACACB
SCHEMBL23327015 0.73 HDAC8 (0.38) —
SCHEMBL21470911 0.70 ESR2 (0.56) ESR2NR1H2MAP3K5MAPTHCRTR2
SCHEMBL21470757 0.70 MET (0.32) ACACB

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 ESR2 537/4885NR1H2 439/4885MAP3K5 96/4885

“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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