SCHEMBL21810403

SCHEMBL21810403

Brc1ccc2cnn(C3COC3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 8/20 0.41
▸ KMO O15229 1/20 0.40
▸ IRAK4 Q9NWZ3 2/20 0.37
▸ FGFR1 P11362 2/20 0.36
▸ FGFR4 P22455 2/20 0.36
▸ PDE1B Q01064 1/20 0.36
▸ PDE1C Q14123 1/20 0.36
▸ HTR1A P08908 1/20 0.33
▸ HTR1B P28222 1/20 0.33
▸ HTR1F P30939 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.32
▸ SCD O00767 2/20 0.32
▸ ABL1 P00519 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
SCHEMBL31757883 0.88 PIK3CD (0.41) PIK3CDKMOHTR1AHTR1BHTR1F
SCHEMBL21810460 0.88 HDAC8 (0.36) PIK3CDKMOPDE1BPDE1CMAPT
SCHEMBL31104405 0.85 KMO (0.43) PIK3CDKMOIRAK4FGFR1FGFR4
SCHEMBL16595822 0.85 KMO (0.43) PIK3CDKMOIRAK4FGFR1FGFR4
SCHEMBL19279630 0.85 PIK3CD (0.55) PIK3CDKMOPDE1BPDE1CPDE10A
SCHEMBL2980987 0.83 PIK3CD (0.41) PIK3CDKMOIRAK4FGFR1FGFR4
SCHEMBL17677989 0.83 PIK3CD (0.41) PIK3CDKMOIRAK4FGFR1FGFR4
SCHEMBL19698021 0.81 PIK3CD (0.41) PIK3CDKMOIRAK4FGFR1FGFR4
SCHEMBL20116574 0.81 PDE1B (0.40) PIK3CDKMOPDE1BPDE1CHTR1A
SCHEMBL19689422 0.80 PIK3CD (0.43) PIK3CDKMOIRAK4FGFR1FGFR4

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 3 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
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 PIK3CD 3200/4885KMO 2243/4885IRAK4 2583/4885

“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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