SCHEMBL2133583

SCHEMBL2133583

COC(=O)c1cc(N)cc(N2CCN(C)CC2)n1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ USP2 O75604 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ HRH4 Q9H3N8 8/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.47
▸ NQO2 P16083 1/20 0.44

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
SCHEMBL1505634 0.85 PIK3CB (0.47) KDM4EKMT2AMEN1ALDH1A1NQO2
SCHEMBL1506185 0.83 KDM4E (0.51) KDM4EKMT2AMEN1USP2ALDH1A1
SCHEMBL27440962 0.81 HRH4 (0.52) KDM4EKMT2AMEN1USP2ALDH1A1
SCHEMBL5005488 0.78 HRH4 (0.65) HRH4HRH3
SCHEMBL21200767 0.77 KDM4E (0.48) KDM4EKMT2AMEN1USP2ALDH1A1
SCHEMBL29867435 0.77 KDM4E (0.48) KDM4EKMT2AMEN1USP2ALDH1A1
SCHEMBL3173613 0.77 OGA (0.56) KDM4EKMT2AMEN1USP2ALDH1A1
SCHEMBL2013927 0.77 NQO2 (0.55) KDM4EALDH1A1PKMNQO2
SCHEMBL15938175 0.76 HRH4 (0.54) HRH4HRH3
SCHEMBL27451576 0.76 KDM4E (0.58) KDM4EKMT2AMEN1USP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101100-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 ASTRAZENECA AB (SE) 2012-04-26 — — US disclosed
US-20120101100-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 ASTRAZENECA AB (SE) 2012-04-26 — — US disclosed
US-20120101100-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 ASTRAZENECA AB (SE) 2012-04-26 — — US disclosed
CN-102015699-A Heterocyclic urea derivatives and methods of use thereof-211 ASTRAZENECA AB 2011-04-13 — — CN disclosed
WO-2011024004-A1 HETEROCYCLIC UREA DERIVATIVES USEFUL FOR TREATMENT OF BACTERIAL INFECTION ASTRAZENECA AB (SE) 2011-03-03 — — WO disclosed
EP-2262801-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 AstraZeneca AB (SE) 2010-12-22 — — EP disclosed
WO-2009106885-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 ASTRAZENECA AB (SE) 2009-09-03 — — WO disclosed
WO-2009106885-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 ASTRAZENECA AB (SE) 2009-09-03 — — 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-20120101100-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 UROD, UMPS, SLC14A1 KDM4E 2925/4885KMT2A 3723/4885MEN1 1943/4885

“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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