SCHEMBL11937156

SCHEMBL11937156

Cc1cccc(-c2cc(-c3cccc(O)c3)nc(C)c2C#N)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ ADORA1 P30542 9/20 0.43
▸ ADORA2A P29274 7/20 0.43
▸ ADORA2B P29275 1/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ PIM1 P11309 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ HSP90AA1 P07900 2/20 0.40
▸ HSP90AB1 P08238 2/20 0.40
▸ BLM P54132 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ MDM2 Q00987 1/20 0.40
▸ IKBKB O14920 1/20 0.37

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
SCHEMBL14290444 0.91 ADORA1 (0.48) L3MBTL1ADORA1ADORA2AADORA2BKMT2A
SCHEMBL11937161 0.89 KMT2A (0.51) L3MBTL1ADORA1ADORA2AADORA2BKMT2A
SCHEMBL11937162 0.86 L3MBTL1 (0.41) L3MBTL1ADORA1ADORA2AADORA2BKMT2A
SCHEMBL14290427 0.83 ADORA1 (0.41) L3MBTL1ADORA1ADORA2AADORA2BKMT2A
SCHEMBL11937160 0.83 ADORA1 (0.46) L3MBTL1ADORA1ADORA2AADORA2BKMT2A
SCHEMBL3061882 0.82 ADORA1 (0.44) L3MBTL1ADORA1ADORA2AADORA2BKMT2A
SCHEMBL14285021 0.82 ADORA1 (0.44) L3MBTL1ADORA1ADORA2AADORA2BKMT2A
SCHEMBL11937155 0.82 ADORA1 (0.44) L3MBTL1ADORA1ADORA2AADORA2BKMT2A
SCHEMBL11937168 0.82 ADORA1 (0.44) L3MBTL1ADORA1ADORA2AADORA2BKMT2A
SCHEMBL14290445 0.81 ADORA2A (0.53) L3MBTL1ADORA1ADORA2AADORA2BKMT2A

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 5 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-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-7737164-B2 Cyanopyridine antibacterial agents WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-06-15 — — 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 L3MBTL1 3248/4885ADORA1 3317/4885ADORA2A 4136/4885
US-20080009528-A1 ANTIBACTERIAL AGENTS AND RELATED SCREENING METHODS USING SMALL MOLECULE MACROARRAYS PCNA, ABCG2, API5 L3MBTL1 3800/4885ADORA1 3358/4885ADORA2A 3726/4885
US-20100261763-A1 ANTIBACTERIAL AGENTS AND METHODS OF USE THEREOF FDPS, CYP3A5, ABCG2 L3MBTL1 3356/4885ADORA1 3520/4885ADORA2A 4209/4885

“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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