SCHEMBL11937164

SCHEMBL11937164

Cc1nc(-c2cccc(O)c2)cc(-c2cccc(Br)c2)c1C#N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.58
▸ RXFP1 Q9HBX9 2/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ ADORA1 P30542 7/20 0.54
▸ ADORA2A P29274 6/20 0.54
▸ HPGD P15428 3/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ LMNA P02545 3/20 0.53
▸ CTSS P25774 1/20 0.45
▸ CTSK P43235 1/20 0.45
▸ NPSR1 Q6W5P4 4/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ PPARG P37231 2/20 0.44
▸ NCOA2 Q15596 2/20 0.44
▸ NCOA1 Q15788 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ PIM1 P11309 1/20 0.44
▸ NCOA3 Q9Y6Q9 1/20 0.44
▸ MAPK1 P28482 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
SCHEMBL3052342 0.90 ADORA1 (0.60) KDM4ERXFP1SMN1; SMN2ADORA1ADORA2A
SCHEMBL13098519 0.90 ADORA1 (0.56) KDM4ERXFP1SMN1; SMN2ADORA1ADORA2A
SCHEMBL11937159 0.87 ADORA1 (0.61) KDM4ERXFP1SMN1; SMN2ADORA1ADORA2A
SCHEMBL11937160 0.85 ADORA1 (0.46) KDM4ERXFP1SMN1; SMN2ADORA1ADORA2A
SCHEMBL11942096 0.83 CTSS (0.51) ADORA1ADORA2ACTSSCTSKL3MBTL1
SCHEMBL14290445 0.83 ADORA2A (0.53) KDM4EADORA1ADORA2AHPGDALDH1A1
SCHEMBL14285021 0.82 ADORA1 (0.44) KDM4ESMN1; SMN2ADORA1ADORA2AHPGD
SCHEMBL11937168 0.82 ADORA1 (0.44) KDM4ESMN1; SMN2ADORA1ADORA2AHPGD
SCHEMBL11937155 0.80 ADORA1 (0.44) KDM4EADORA1ADORA2AHPGDALDH1A1
SCHEMBL11942095 0.80 CTSS (0.47) ADORA1ADORA2ACTSSCTSKL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120277252-A1 Antibacterial Agents and Methods of Use Thereof WISCONSIN ALUMNI RESEARCH FOUNDATION 2012-11-01 — — US disclosed
US-20120277252-A1 Antibacterial Agents and Methods of Use Thereof WISCONSIN ALUMNI RESEARCH FOUNDATION 2012-11-01 — — US disclosed
US-8227616-B2 Cyanopyridine antibacterial agents and methods of use thereof WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-07-24 — — US disclosed
US-8227616-B2 Cyanopyridine antibacterial agents and methods of use thereof WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-07-24 — — US disclosed
US-20100261763-A1 ANTIBACTERIAL AGENTS AND METHODS OF USE THEREOF WISCONSIN ALUMNI RESEARCH FOUNDATION 2010-10-14 — — US disclosed
US-20100261763-A1 ANTIBACTERIAL AGENTS AND METHODS OF USE THEREOF WISCONSIN ALUMNI RESEARCH FOUNDATION 2010-10-14 — — US disclosed
US-7737164-B2 Cyanopyridine antibacterial agents WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-06-15 — — US disclosed
US-7737164-B2 Cyanopyridine antibacterial agents WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-06-15 — — US disclosed
WO-2008016738-A2 ANTIBACTERIAL AGENTS AND RELATED SCREENING METHODS USING SMALL MOLECULE MACROARRAYS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-02-07 — — WO disclosed
US-20080009528-A1 ANTIBACTERIAL AGENTS AND RELATED SCREENING METHODS USING SMALL MOLECULE MACROARRAYS WISCONSIN ALUMNI RESEARCH FOUNDATION 2008-01-10 — — US disclosed
US-20080009528-A1 ANTIBACTERIAL AGENTS AND RELATED SCREENING METHODS USING SMALL MOLECULE MACROARRAYS WISCONSIN ALUMNI RESEARCH FOUNDATION 2008-01-10 — — 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 (3 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-20120277252-A1 Antibacterial Agents and Methods of Use Thereof FDPS, ABCG2, DUT KDM4E 285/4885RXFP1 4633/4885SMN1; SMN2 4529/4885
US-20080009528-A1 ANTIBACTERIAL AGENTS AND RELATED SCREENING METHODS USING SMALL MOLECULE MACROARRAYS PCNA, ABCG2, API5 KDM4E 247/4885RXFP1 4831/4885SMN1; SMN2 4826/4885
US-20100261763-A1 ANTIBACTERIAL AGENTS AND METHODS OF USE THEREOF FDPS, CYP3A5, ABCG2 KDM4E 227/4885RXFP1 4611/4885SMN1; SMN2 4572/4885

“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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