SCHEMBL21810460

SCHEMBL21810460

Brc1ccc2c(cnn2C2COC2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PDE1B Q01064 1/20 0.36
▸ PDE1C Q14123 1/20 0.36
▸ PIK3CD O00329 1/20 0.34
▸ KMO O15229 1/20 0.32
▸ TNKS O95271 2/20 0.32
▸ SCD O00767 1/20 0.32
▸ RXRA P19793 1/20 0.32
▸ RXRB P28702 1/20 0.32
▸ RXRG P48443 1/20 0.32
▸ ABL1 P00519 1/20 0.31
▸ EGFR P00533 1/20 0.31
▸ LRRK2 Q5S007 2/20 0.31
▸ ABCG2 Q9UNQ0 2/20 0.31
▸ NOS1 P29475 1/20 0.31
▸ METAP2 P50579 1/20 0.31
▸ CSNK2A1 P68400 1/20 0.31
▸ GPR119 Q8TDV5 2/20 0.31
▸ KRAS P01116 1/20 0.31

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
SCHEMBL20014996 0.88 PIK3CD (0.40) HDAC8PDE1BPDE1CPIK3CDRXRA
SCHEMBL26757187 0.88 PIK3CD (0.40) HDAC8PDE1BPDE1CPIK3CDRXRA
SCHEMBL21175144 0.88 PIK3CD (0.40) HDAC8PDE1BPDE1CPIK3CDRXRA
SCHEMBL29041973 0.88 LRRK2 (0.40) PIK3CDSCDLRRK2ABCG2CSNK2A1
SCHEMBL21810403 0.88 PIK3CD (0.41) MAPTPDE1BPDE1CPIK3CDKMO
SCHEMBL13468 0.85 HDAC8 (0.39) HDAC8PIK3CDKMOTNKSSCD
SCHEMBL30122245 0.85 PIK3CD (0.47) PDE1BPDE1CPIK3CDMAPK1
SCHEMBL25045382 0.83 HTR7 (0.39) HDAC8PIK3CDTNKSSCDRXRA
SCHEMBL17678127 0.83 PDE9A (0.38) HDAC8PIK3CDTNKSSCDRXRA
SCHEMBL15339575 0.81 POLB (0.43) HDAC8MAPTPDE1BPDE1CLRRK2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3596051-B1 FUSED BICYCLIC COMPOUNDS, COMPOSITIONS AND APPLICATIONS THEREOF IMPETIS BIOSCIENCES LTD (IN) 2022-04-27 — — EP disclosed
EP-3596051-B1 FUSED BICYCLIC COMPOUNDS, COMPOSITIONS AND APPLICATIONS THEREOF IMPETIS BIOSCIENCES LTD (IN) 2022-04-27 — — EP disclosed
CN-111303118-B Compounds and their use in the treatment of hepatitis B 清华大学 2021-11-09 — — CN disclosed
CN-111303118-A Compounds and their use in the treatment of hepatitis B 清华大学 2020-06-19 — — CN disclosed
US-20200087281-A1 FUSED BICYCLIC COMPOUNDS, COMPOSITIONS AND APPLICATIONS THEREOF IMPETIS BIOSCIENCES LIMITED (IN) 2020-03-19 — — US disclosed
US-20200087281-A1 FUSED BICYCLIC COMPOUNDS, COMPOSITIONS AND APPLICATIONS THEREOF IMPETIS BIOSCIENCES LIMITED (IN) 2020-03-19 — — 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-20200087281-A1 FUSED BICYCLIC COMPOUNDS, COMPOSITIONS AND APPLICATIONS THEREOF GPR119, GPR65, GPR88 HDAC8 860/4885MAPT 976/4885PDE1B 446/4885

“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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