SCHEMBL15411539

SCHEMBL15411539

CC(=O)Nc1nc2c(-c3cccc(C(F)(F)F)c3)c(C)c(C(=O)C=CN(C)C)cn2n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.40
ADORA2A P29274 1/20 0.40
PIK3CG P48736 5/20 0.36
PIK3CD O00329 1/20 0.36
RAD52 P43351 1/20 0.36
PAX8 Q06710 1/20 0.36
MC4R P32245 1/20 0.36
TOP2A P11388 1/20 0.36
FYN P06241 1/20 0.36
PIK3CB P42338 2/20 0.35
JAK2 O60674 1/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 1/20 0.35
RXFP1 Q9HBX9 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAT2A P31153 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
SCHEMBL15411537 1.00 ALDH1A1 (0.43) ALDH1A1GAAADORA2APIK3CGPIK3CD
SCHEMBL15434244 0.89 ADORA2A (0.40) ALDH1A1ADORA2APIK3CGPIK3CDMC4R
SCHEMBL15411158 0.87 ADORA2A (0.45) ALDH1A1ADORA2APIK3CGPIK3CDMC4R
SCHEMBL15411621 0.86 ADORA2A (0.39) ALDH1A1ADORA2APIK3CGPIK3CDRAD52
SCHEMBL15411630 0.85 ADORA2A (0.44) ALDH1A1ADORA2APIK3CGPIK3CDMC4R
SCHEMBL15411350 0.84 ADORA2A (0.42) ALDH1A1ADORA2APIK3CGPIK3CDMC4R
SCHEMBL15410377 0.81 ADORA2A (0.45) ALDH1A1ADORA2APIK3CGPIK3CDMC4R
SCHEMBL15411069 0.73 EGLN2 (0.42) ADORA2APIK3CGPIK3CDMC4RTOP2A
SCHEMBL15410874 0.72 EGLN2 (0.40) ALDH1A1ADORA2AMC4RTOP2AFYN
SCHEMBL18076251 0.71 MALT1 (0.40) ALDH1A1ADORA2APIK3CGPIK3CDTOP2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2872509-B1 INHIBITION OF ENZYMES CHIESI FARMA SPA (IT) 2016-09-14 EP disclosed
US-9199984-B2 Inhibition of enzymes CHIESI FARMACEUTICI S.P.A. (IT) 2015-12-01 US disclosed
EP-2872509-A1 INHIBITION OF ENZYMES Chiesi Farmaceutici S.p.A. (IT) 2015-05-20 EP disclosed
WO-2014009425-A1 INHIBITION OF ENZYMES CHIESI FARMACEUTICI S.P.A. (IT) 2014-01-16 WO disclosed
US-20140018345-A1 INHIBITION OF ENZYMES CHIESI FARMACEUTICI S.P.A (IT) 2014-01-16 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 (1 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-20140018345-A1 INHIBITION OF ENZYMES SERPINB1, ELANE, MPO ALDH1A1 134/4885GAA 155/4885ADORA2A 1511/4885

“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.