SCHEMBL11937166

SCHEMBL11937166

Cc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 6/20 0.71
ADORA2A P29274 5/20 0.71
SQOR Q9Y6N5 6/20 0.67
L3MBTL1 Q9Y468 3/20 0.66
MAPK1 P28482 1/20 0.66
KDM4E B2RXH2 4/20 0.64
HPGD P15428 3/20 0.64
NPSR1 Q6W5P4 2/20 0.64
PPARG P37231 1/20 0.64
NCOA2 Q15596 1/20 0.64
NCOA1 Q15788 1/20 0.64
NCOA3 Q9Y6Q9 1/20 0.64
ALDH1A1 P00352 3/20 0.62
HSD17B10 Q99714 1/20 0.62
KMT2A Q03164 2/20 0.61
LMNA P02545 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61

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
SCHEMBL14582056 0.89 ADORA1 (0.60) ADORA1ADORA2ASQORL3MBTL1MAPK1
Bromide SCHEMBL4074769 0.87 L3MBTL1 (0.68) ADORA1ADORA2ASQORL3MBTL1MAPK1
SCHEMBL14176622 0.86 KDM4E (0.77) ADORA1ADORA2ASQORL3MBTL1MAPK1
SCHEMBL4064211 0.86 L3MBTL1 (0.71) ADORA1ADORA2ASQORL3MBTL1MAPK1
Bromide SCHEMBL4074767 0.83 L3MBTL1 (0.68) ADORA1ADORA2ASQORL3MBTL1MAPK1
SCHEMBL4911494 0.83 ADORA1 (1.00) ADORA1ADORA2AL3MBTL1KDM4EHPGD
SCHEMBL31120336 0.83 ADORA1 (1.00) ADORA1ADORA2AL3MBTL1KDM4EHPGD
SCHEMBL22208383 0.82 ADORA1 (1.00) ADORA1ADORA2AL3MBTL1KDM4EHPGD
SCHEMBL31120420 0.82 ADORA1 (1.00) ADORA1ADORA2AL3MBTL1KDM4EHPGD
SCHEMBL31120383 0.82 ADORA1 (1.00) ADORA1ADORA2AL3MBTL1KDM4EHPGD

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 6 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
US-20070128658-A1 FLUORESCENT DYES, METHODS AND USES THEREOF WISCONSIN ALUMNI RESEARCH FOUNDATION 2007-06-07 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 (4 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 ADORA1 3317/4885ADORA2A 4136/4885SQOR 98/4885
US-20080009528-A1 ANTIBACTERIAL AGENTS AND RELATED SCREENING METHODS USING SMALL MOLECULE MACROARRAYS PCNA, ABCG2, API5 ADORA1 3358/4885ADORA2A 3726/4885SQOR 906/4885
US-20100261763-A1 ANTIBACTERIAL AGENTS AND METHODS OF USE THEREOF FDPS, CYP3A5, ABCG2 ADORA1 3520/4885ADORA2A 4209/4885SQOR 123/4885
US-20070128658-A1 FLUORESCENT DYES, METHODS AND USES THEREOF DHX15, DHX35, DUT ADORA1 2602/4885ADORA2A 2011/4885SQOR 304/4885

“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.