SCHEMBL29785322

SCHEMBL29785322

Cn1c(=O)[nH]c(=O)c2cccc(F)c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.46
▸ ADORA2A P29274 1/20 0.46
▸ ADORA2B P29275 1/20 0.46
▸ ADORA1 P30542 1/20 0.46
▸ DAO P14920 5/20 0.44
▸ JAK2 O60674 1/20 0.42
▸ BTK Q06187 1/20 0.42
▸ FEN1 P39748 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PARP1 P09874 2/20 0.39
▸ LMNA P02545 1/20 0.38
▸ DRD1 P21728 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ PMP22 Q01453 1/20 0.37
▸ KMO O15229 1/20 0.36
▸ GUCY1A1 Q02108 1/20 0.36
▸ GUCY1B1 Q02153 1/20 0.36

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
SCHEMBL31412224 0.81 DAO (0.45) DAOJAK2BTKFEN1MEN1
SCHEMBL14691916 0.79 HDAC6 (0.47) ADORA3ADORA2AADORA2BADORA1DAO
SCHEMBL13954881 0.79 DAO (0.64) ADORA3ADORA2AADORA2BADORA1DAO
SCHEMBL6395773 0.74 ADORA2B (0.41) ADORA3ADORA2AADORA2BADORA1FEN1
SCHEMBL25150492 0.72 PARP1 (0.45) DAOFEN1MEN1ALDH1A1KMT2A
SCHEMBL5033267 0.71 GPR3 (0.52) ADORA3ADORA2AADORA2BADORA1DAO
SCHEMBL7295311 0.70 JAK2 (0.42) JAK2BTKALDH1A1PARP1LMNA
SCHEMBL25920578 0.69 JAK2 (0.41) DAOJAK2BTKFEN1ALDH1A1
Benzene SCHEMBL28335868 0.69 ADORA3 (0.50) ADORA3ADORA2AADORA2BADORA1DAO
SCHEMBL3580909 0.69 JAK2 (0.42) DAOJAK2BTKALDH1A1LMNA

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-11591314-B2 Process for preparing tetrahydrocarbazole carboxamide compound BRISTOL-MYERS SQUIBB COMPANY (US) 2023-02-28 — — US disclosed
CN-110312713-B Process for preparing tetrahydrocarbazole carboxamide compounds 百时美施贵宝公司 2022-08-12 — — CN 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-11591314-B2 Process for preparing tetrahydrocarbazole carboxamide compound CYP2C8, CYP3A7, PARP8 ADORA3 1486/4885ADORA2A 1690/4885ADORA2B 871/4885

“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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