SCHEMBL21268756

SCHEMBL21268756

CN(C(=O)OC(C)(C)C)C1CC(n2cc(C(=O)O)c3ccc(Br)nc32)C1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PIK3R1 P27986 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ AURKA O14965 1/20 0.34
▸ PDPK1 O15530 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ SPR P35270 1/20 0.31
▸ KAT6A Q92794 1/20 0.31
▸ PDE10A Q9Y233 1/20 0.31
▸ HSD11B1 P28845 1/20 0.31
▸ KDM4D Q6B0I6 1/20 0.30
▸ BUB1 O43683 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
SCHEMBL22801970 1.00 PIK3R1 (0.34) PIK3R1PIK3CAAURKAPDPK1AURKB
SCHEMBL21269506 0.90 AURKA (0.34) PIK3R1PIK3CAAURKAPDPK1AURKB
SCHEMBL21269509 0.90 AURKA (0.34) PIK3R1PIK3CAAURKAPDPK1AURKB
SCHEMBL21268725 0.86 AURKA (0.35) PIK3R1PIK3CAAURKAPDPK1AURKB
SCHEMBL21268722 0.86 AURKA (0.35) PIK3R1PIK3CAAURKAPDPK1AURKB
SCHEMBL21285576 0.86 PIK3R1 (0.34) PIK3R1PIK3CAAURKAPDPK1AURKB
SCHEMBL22801929 0.85 PIK3R1 (0.34) PIK3R1PIK3CAAURKAPDPK1AURKB
SCHEMBL22801928 0.85 PIK3R1 (0.34) PIK3R1PIK3CAAURKAPDPK1AURKB
SCHEMBL22801987 0.85 RET (0.36) PIK3R1PIK3CAAURKAPDPK1AURKB
SCHEMBL22801986 0.85 RET (0.36) PIK3R1PIK3CAAURKAPDPK1AURKB

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-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives EVOTEC (UK) LTD (GB) 2020-12-24 — — US disclosed
EP-3527209-A1 PHARMACEUTICAL 6,5 HETEROBICYCLIC RING DERIVATIVES UCB Biopharma SPRL (BE) 2019-08-21 — — EP 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-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives STING1, IRF3, NFATC1 PIK3R1 116/4885PIK3CA 595/4885AURKA 4236/4885

“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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