SCHEMBL15411158

SCHEMBL15411158

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.45
RXFP1 Q9HBX9 1/20 0.41
TOP2A P11388 1/20 0.41
MC4R P32245 1/20 0.41
KIT P10721 1/20 0.40
KDR P35968 1/20 0.40
MAPK14 Q16539 1/20 0.40
FYN P06241 1/20 0.40
ALDH1A1 P00352 2/20 0.40
JAK2 O60674 2/20 0.40
PIK3CG P48736 6/20 0.40
MAPK1 P28482 2/20 0.39
POLB P06746 1/20 0.39
PIK3CD O00329 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.39
NPY5R Q15761 1/20 0.39
PIK3CA P42336 2/20 0.39
PIK3CB P42338 2/20 0.39
AURKA O14965 1/20 0.39

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
SCHEMBL15411630 0.92 ADORA2A (0.44) ADORA2ARXFP1TOP2AMC4RFYN
SCHEMBL15411350 0.91 ADORA2A (0.42) ADORA2ARXFP1TOP2AMC4RKIT
SCHEMBL15410377 0.88 ADORA2A (0.45) ADORA2ATOP2AMC4RFYNALDH1A1
SCHEMBL15434244 0.88 ADORA2A (0.40) ADORA2ARXFP1TOP2AMC4RFYN
SCHEMBL15411537 0.87 ALDH1A1 (0.43) ADORA2ARXFP1TOP2AMC4RFYN
SCHEMBL15411539 0.87 ALDH1A1 (0.43) ADORA2ARXFP1TOP2AMC4RFYN
SCHEMBL15411621 0.86 ADORA2A (0.39) ADORA2ARXFP1TOP2AMC4RFYN
SCHEMBL15411069 0.79 EGLN2 (0.42) ADORA2ARXFP1TOP2AMC4RFYN
SCHEMBL15410874 0.78 EGLN2 (0.40) ADORA2ATOP2AMC4RFYNALDH1A1
SCHEMBL18076251 0.77 MALT1 (0.40) ADORA2ATOP2AKITKDRMAPK14

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 11 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
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
US-9199984-B2 Inhibition of enzymes CHIESI FARMACEUTICI S.P.A. (IT) 2015-12-01 US 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
US-20140018345-A1 INHIBITION OF ENZYMES CHIESI FARMACEUTICI S.P.A (IT) 2014-01-16 US disclosed
US-20140018345-A1 INHIBITION OF ENZYMES CHIESI FARMACEUTICI S.P.A (IT) 2014-01-16 US disclosed
WO-2014009425-A1 INHIBITION OF ENZYMES CHIESI FARMACEUTICI S.P.A. (IT) 2014-01-16 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 (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 ADORA2A 1511/4885RXFP1 963/4885TOP2A 1836/4885

“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.