SCHEMBL13629651

SCHEMBL13629651

Cc1ncc(-c2cccc(N)n2)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.48
NOS3 P29474 3/20 0.44
NOS2 P35228 2/20 0.44
ADORA2A P29274 2/20 0.41
IDH1 O75874 4/20 0.40
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
BRS3 P32247 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
AOC3 Q16853 2/20 0.36
NOS1 P29475 2/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
BACE1 P56817 1/20 0.34

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
SCHEMBL15859041 0.84 CCR1 (0.54) NOS3NOS2ADORA2AKDM4EALDH1A1
SCHEMBL15671496 0.79 MAPK14 (0.42) ADORA2AKDM4EALDH1A1MEN1MAPT
SCHEMBL13615880 0.79 ASIC3 (0.46) ASIC3NOS3NOS2IDH1KDM4E
SCHEMBL20390647 0.79 ASIC3 (0.48) ASIC3NOS3NOS2IDH1KDM4E
SCHEMBL13622972 0.78 ASIC3 (0.44) ASIC3NOS3NOS2IDH1KDM4E
SCHEMBL4313732 0.77 ALDH1A1 (0.55) ASIC3NOS3NOS2IDH1KDM4E
SCHEMBL13615811 0.76 IDH1 (0.43) ASIC3NOS3NOS2IDH1KDM4E
SCHEMBL20809152 0.74 KDM4E (0.61) KDM4EALDH1A1MAPTHPGDKMT2A
SCHEMBL29520452 0.74 PIK3CG (0.38) NOS3NOS2ADORA2AHDAC1HDAC2
SCHEMBL13629736 0.74 SRC (0.43) ASIC3NOS3NOS2ADORA2AIDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2203435-B1 6, 11-BRIDGED BIARYL MACROLIDES ENANTA PHARM INC (US) 2018-07-18 EP disclosed
US-20140187780-A1 6,11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. (US) 2014-07-03 US disclosed
US-20130231298-A1 ANTI-BACTERIAL ACTIVITY OF 9-HYDROXY DERIVATIVES OF 6,11-BICYCLOLIDES ENANTA PHARMACEUTICALS, INC. (US) 2013-09-05 US disclosed
US-20130165641-A1 6,11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-8383785-B2 Anti-bacterial activity of 9-hydroxy derivatives of 6,11-bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2013-02-26 US disclosed
US-8354383-B2 6,11-bridged biaryl macrolides ENANTA PHARMACEUTICALS, INC. (US) 2013-01-15 US disclosed
US-20090281050-A1 ANTI-BACTERIAL ACTIVITY OF 9-HYDROXY DERIVATIVES OF 6,11-BICYCLOLIDES ENANTA PHARMACEUTICALS, INC. 2009-11-12 US disclosed
US-20090264380-A1 6,11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. 2009-10-22 US disclosed
WO-2009075923-A2 6, 11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. (US) 2009-06-18 WO disclosed
US-20090118506-A1 6,11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. 2009-05-07 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 (6 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-20130165641-A1 6,11-BRIDGED BIARYL MACROLIDES CYP2B6, CYP2D6, ABCB11 ASIC3 2381/4885NOS3 2152/4885NOS2 1875/4885
US-20130231298-A1 ANTI-BACTERIAL ACTIVITY OF 9-HYDROXY DERIVATIVES OF 6,11-BICYCLOLIDES CYP8B1, SI, CYP51A1 ASIC3 1928/4885NOS3 2927/4885NOS2 2344/4885
US-20140187780-A1 6,11-BRIDGED BIARYL MACROLIDES CYP2B6, CYP2D6, ABCB11 ASIC3 2381/4885NOS3 2152/4885NOS2 1875/4885
US-20090118506-A1 6,11-BRIDGED BIARYL MACROLIDES CYP2B6, CYP2D6, ABCB11 ASIC3 2128/4885NOS3 1939/4885NOS2 1639/4885
US-20090281050-A1 ANTI-BACTERIAL ACTIVITY OF 9-HYDROXY DERIVATIVES OF 6,11-BICYCLOLIDES CYP8B1, SI, CYP51A1 ASIC3 1928/4885NOS3 2927/4885NOS2 2344/4885
US-20090264380-A1 6,11-BRIDGED BIARYL MACROLIDES CYP2B6, CYP2D6, ABCB11 ASIC3 2381/4885NOS3 2152/4885NOS2 1875/4885

“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.