SCHEMBL13615797

SCHEMBL13615797

CC(C)Cc1ccc(-c2nc(N)ns2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.46
ADORA2A P29274 2/20 0.46
ADORA2B P29275 2/20 0.46
ADORA1 P30542 2/20 0.46
PDE10A Q9Y233 1/20 0.38
PIM1 P11309 2/20 0.36
PIM2 Q9P1W9 2/20 0.36
CDC7 O00311 1/20 0.34
PLK4 O00444 1/20 0.34
DCLK1 O15075 1/20 0.34
MAPK13 O15264 1/20 0.34
DAPK3 O43293 1/20 0.34
DYRK3 O43781 1/20 0.34
JAK2 O60674 1/20 0.34
ROCK2 O75116 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
NTRK1 P04629 1/20 0.34
CDK1 P06493 1/20 0.34
RET P07949 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
SCHEMBL13629967 0.84 ADORA3 (0.50) ADORA3ADORA2AADORA2BADORA1PIM1
SCHEMBL13622956 0.81 ADORA3 (0.47) ADORA3ADORA2AADORA2BADORA1PIM1
SCHEMBL12680080 0.79 ADORA3 (0.51) ADORA3ADORA2AADORA2BADORA1PIM1
SCHEMBL3657653 0.78 ADORA3 (0.47) ADORA3ADORA2AADORA2BADORA1PIM1
SCHEMBL13615799 0.77 PDE10A (0.38) PDE10ACYP19A1PIK3CANOS3NOS1
SCHEMBL15490954 0.76 PDE10A (0.50) PDE10ACDC7PLK4DCLK1MAPK13
SCHEMBL10130881 0.75 KDM4E (0.53) PDE10A
SCHEMBL12681394 0.75 ADORA3 (0.54) ADORA3ADORA2AADORA2BADORA1PDE10A
SCHEMBL15071926 0.72 ADORA3 (0.50) ADORA3ADORA2AADORA2BADORA1PIM1
SCHEMBL13615828 0.72 ADRB2 (0.46) ADORA3ADORA2AADORA2BADORA1PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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.