SCHEMBL22802002

SCHEMBL22802002

O=C(O)N1CC[C@@H](n2ccc3ccc(Br)nc32)C1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 7/20 0.34
▸ L3MBTL3 Q96JM7 5/20 0.32
▸ L3MBTL1 Q9Y468 5/20 0.32
▸ PNP P00491 1/20 0.32
▸ AURKA O14965 1/20 0.31
▸ TP53BP1 Q12888 1/20 0.31
▸ EGFR P00533 1/20 0.31
▸ SRC P12931 1/20 0.31
▸ HRH3 Q9Y5N1 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
SCHEMBL22802031 1.00 KDM5A (0.34) KDM5AL3MBTL3L3MBTL1PNPAURKA
SCHEMBL21281473 0.83 SRC (0.46) L3MBTL1EGFRSRC
SCHEMBL22822745 0.83 SRC (0.46) L3MBTL1EGFRSRC
SCHEMBL22801997 0.79 HTR6 (0.36) AURKASRC
SCHEMBL22801941 0.77 HCAR1 (0.45) L3MBTL1
SCHEMBL22801981 0.76 KDM1A (0.36) KDM5A
SCHEMBL22801983 0.76 KDM1A (0.36) KDM5A
SCHEMBL31324653 0.74 AURKA (0.38) AURKASRC
SCHEMBL22822703 0.74 AURKA (0.36) AURKASRC
SCHEMBL20135661 0.74 KDM5A (0.35) KDM5AAURKAEGFRSRC

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 1 patent. 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

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 KDM5A 2233/4885L3MBTL3 4757/4885L3MBTL1 4734/4885

“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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