SCHEMBL21274050

SCHEMBL21274050

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

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PIK3R1 P27986 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ KAT6A Q92794 2/20 0.34
▸ AURKA O14965 1/20 0.34
▸ PDPK1 O15530 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ KAT8 Q9H7Z6 2/20 0.32
▸ HSD11B1 P28845 1/20 0.31
▸ PDE10A Q9Y233 1/20 0.31
▸ KDM4D Q6B0I6 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
SCHEMBL22801937 1.00 PIK3R1 (0.35) PIK3R1PIK3CAKAT6AAURKAPDPK1
SCHEMBL22822713 0.89 PIK3R1 (0.35) PIK3R1PIK3CAKAT6AAURKAPDPK1
SCHEMBL22822874 0.89 PIK3R1 (0.35) PIK3R1PIK3CAKAT6AAURKAPDPK1
SCHEMBL21274041 0.87 KDM1A (0.38) PIK3R1PIK3CAKAT6AAURKAPDPK1
SCHEMBL22802032 0.87 KDM1A (0.38) PIK3R1PIK3CAKAT6AAURKAPDPK1
SCHEMBL22822420 0.83 GSK3B (0.37) PIK3R1PIK3CAKAT6AAURKAPDPK1
SCHEMBL22822712 0.83 GSK3B (0.37) PIK3R1PIK3CAKAT6AAURKAPDPK1
SCHEMBL22822764 0.82 PDE10A (0.36) PIK3R1PIK3CAAURKAPDPK1AURKB
SCHEMBL22822445 0.82 PIK3R1 (0.37) PIK3R1PIK3CAKAT6AAURKAPDPK1
SCHEMBL22822753 0.82 PIK3R1 (0.37) PIK3R1PIK3CAKAT6AAURKAPDPK1

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 4 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-3752150-A1 PHARMACEUTICAL 6,5 HETEROBICYCLIC RING DERIVATIVES UCB Biopharma SRL (BE) 2020-12-23 — — EP disclosed
CN-112105357-A Pharmaceutically acceptable 6,5 heterobicyclic derivatives UCB生物制药有限责任公司 2020-12-18 — — CN disclosed
WO-2019158731-A1 PHARMACEUTICAL 6,5 HETEROBICYCLIC RING DERIVATIVES UCB BIOPHARMA SPRL (BE) 2019-08-22 — — WO 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 595/4885KAT6A 1446/4885

“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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