SCHEMBL13629967

SCHEMBL13629967

CCc1ccc(-c2nc(N)ns2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.50
ADORA2A P29274 2/20 0.50
ADORA2B P29275 2/20 0.50
ADORA1 P30542 2/20 0.50
CYP19A1 P11511 1/20 0.37
PIK3CA P42336 4/20 0.35
PIK3C3 Q8NEB9 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
PI4KA P42356 3/20 0.34
PI4KB Q9UBF8 3/20 0.34
PIK3CD O00329 2/20 0.34
PIK3CB P42338 2/20 0.34
PIK3CG P48736 1/20 0.34
PIM1 P11309 2/20 0.34
PIM2 Q9P1W9 2/20 0.34
PDPK1 O15530 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
HEXA P06865 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
SCHEMBL13622956 0.88 ADORA3 (0.47) ADORA3ADORA2AADORA2BADORA1CYP19A1
SCHEMBL13615797 0.84 ADORA3 (0.46) ADORA3ADORA2AADORA2BADORA1CYP19A1
SCHEMBL3657653 0.82 ADORA3 (0.47) ADORA3ADORA2AADORA2BADORA1CYP19A1
SCHEMBL12681394 0.79 ADORA3 (0.54) ADORA3ADORA2AADORA2BADORA1CYP19A1
SCHEMBL20391019 0.78 ADORA3 (0.62) ADORA3ADORA2AADORA2BADORA1CYP19A1
SCHEMBL20390083 0.76 ADORA3 (0.39) ADORA3ADORA2AADORA2BADORA1PIM1
SCHEMBL12680080 0.76 ADORA3 (0.51) ADORA3ADORA2AADORA2BADORA1CYP19A1
SCHEMBL13822157 0.75 ADORA3 (0.49) ADORA3ADORA2AADORA2BADORA1CYP19A1
SCHEMBL13629649 0.75 SREBF2 (0.42) CYP19A1PRMT5WDR77MEN1KMT2A
SCHEMBL15071926 0.75 ADORA3 (0.50) ADORA3ADORA2AADORA2BADORA1CYP19A1

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
EP-2203435-B1 6, 11-BRIDGED BIARYL MACROLIDES ENANTA PHARM INC (US) 2018-07-18 EP 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-8383785-B2 Anti-bacterial activity of 9-hydroxy derivatives of 6,11-bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2013-02-26 US disclosed
US-20090281050-A1 ANTI-BACTERIAL ACTIVITY OF 9-HYDROXY DERIVATIVES OF 6,11-BICYCLOLIDES ENANTA PHARMACEUTICALS, INC. 2009-11-12 US disclosed
WO-2009075923-A2 6, 11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. (US) 2009-06-18 WO disclosed
WO-2009039177-A1 6, 11-BICYCLOIDES: BRIDGED BIARYL MACROLIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2009-03-26 WO 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 (2 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-20130231298-A1 ANTI-BACTERIAL ACTIVITY OF 9-HYDROXY DERIVATIVES OF 6,11-BICYCLOLIDES CYP8B1, SI, CYP51A1 ADORA3 1105/4885ADORA2A 1508/4885ADORA2B 872/4885
US-20090281050-A1 ANTI-BACTERIAL ACTIVITY OF 9-HYDROXY DERIVATIVES OF 6,11-BICYCLOLIDES CYP8B1, SI, CYP51A1 ADORA3 1105/4885ADORA2A 1508/4885ADORA2B 872/4885

“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.