SCHEMBL10161937

SCHEMBL10161937

CCc1cc(F)c(-n2cccn2)nc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.38
MAPT P10636 3/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAT2A P31153 1/20 0.36
NOTUM Q6P988 1/20 0.35
KCNN4 O15554 1/20 0.34
KCNA5 P22460 1/20 0.34
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
HTR1A P08908 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
ACLY P53396 1/20 0.33
NLRP3 Q96P20 1/20 0.33
P2RX7 Q99572 1/20 0.33
KDM4E B2RXH2 2/20 0.33

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
SCHEMBL10130662 0.85 ADORA2A (0.36) ADORA2AMAPTMAPK1HTTNPSR1
SCHEMBL3380683 0.77 KEAP1 (0.55) ADORA2AMAPTMAPK1HTTNPSR1
SCHEMBL31056766 0.75 ALDH1A1 (0.43) ADORA2AMAPTMAPK1HTTNPSR1
SCHEMBL14909898 0.75 KEAP1 (0.39) ADORA2AMAPTL3MBTL1HTR1AACLY
SCHEMBL10161002 0.71 MAPT (0.36) ADORA2AMAPTMAPK1HTTNPSR1
SCHEMBL8235127 0.70 KEAP1 (0.47) NPSR1KMT2A
SCHEMBL21031068 0.69 ADORA2A (0.37) ADORA2AMAT2ANOTUMHCRTR1HCRTR2
SCHEMBL13788945 0.68 ADORA2A (0.38) ADORA2AMAPK1MAT2ANOTUMHCRTR1
SCHEMBL12090791 0.68 KEAP1 (0.32) HTT
SCHEMBL23343849 0.66 KCNN4 (0.50) MAPTMAPK1HTTNPSR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-05-15 US disclosed
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN (US) 2012-02-09 US disclosed
EP-1506214-B1 6-11 BICYCLIC KETOLIDE DERIVATIVES ENANTA PHARM INC (US) 2010-01-20 EP disclosed
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2009-12-31 US disclosed
US-7622452-B2 C-9 alkenylidine bridged macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-7419962-B2 3,6-bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2008-09-02 US disclosed
US-7407942-B2 3,6-bridged 9,12-oxolides EMATA PHARMACEUTICALS, INC (US) 2008-08-05 US disclosed
WO-2008061189-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES ENANTA PHARMACEUTICALS, INC. (US) 2008-05-22 WO disclosed
US-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES ENANTA PHARMACEUTICALS, INC. 2008-05-22 US disclosed
US-20080027012-A1 BRIDGED CARBAMATE MACROLIDES ENANTA PHARMACEUTICALS, INC. 2008-01-31 US disclosed
US-7312201-B2 Tetracyclic bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2007-12-25 US disclosed
US-7291602-B2 11,12-lactone bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2007-11-06 US disclosed
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2007-10-18 US disclosed
US-20070232554-A1 3,6-Bridged 9,12-oxolides ENATA PHARMACEUTICALS, INC. 2007-10-04 US disclosed
US-7273853-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-09-25 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 (7 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-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES AKR1C2, AKR1C3, AKR1C1 ADORA2A 3413/4885MAPT 3192/4885MAPK1 2264/4885
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 ADORA2A 3413/4885MAPT 3192/4885MAPK1 2264/4885
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 ADORA2A 3413/4885MAPT 3192/4885MAPK1 2264/4885
US-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES CYP2C9, CCR9, DPP9 ADORA2A 2242/4885MAPT 4008/4885MAPK1 3766/4885
US-20070232554-A1 3,6-Bridged 9,12-oxolides CYP2C9, CYP2C19, CYP2D6 ADORA2A 3840/4885MAPT 3606/4885MAPK1 3463/4885
US-20080027012-A1 BRIDGED CARBAMATE MACROLIDES HDAC6, SI, HDAC3 ADORA2A 4402/4885MAPT 3087/4885MAPK1 4095/4885
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 ADORA2A 3413/4885MAPT 3192/4885MAPK1 2264/4885

“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.