SCHEMBL15411350

SCHEMBL15411350

CCC(=O)c1cn2nc(NC(C)=O)nc2c(-c2cccc(C(F)(F)F)c2)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.42
ALDH1A1 P00352 2/20 0.40
JAK2 O60674 2/20 0.40
MC4R P32245 1/20 0.39
TOP2A P11388 1/20 0.38
FYN P06241 1/20 0.38
PIK3CG P48736 3/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RIPK1 Q13546 1/20 0.37
PIK3CD O00329 1/20 0.37
ELANE P08246 3/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
KIT P10721 1/20 0.36
KDR P35968 1/20 0.36
MAPK14 Q16539 1/20 0.36
JAK3 P52333 1/20 0.36

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
SCHEMBL15411158 0.91 ADORA2A (0.45) ADORA2AALDH1A1JAK2MC4RTOP2A
SCHEMBL15411630 0.89 ADORA2A (0.44) ADORA2AALDH1A1JAK2MC4RTOP2A
SCHEMBL15410377 0.85 ADORA2A (0.45) ADORA2AALDH1A1JAK2MC4RTOP2A
SCHEMBL15434244 0.84 ADORA2A (0.40) ADORA2AALDH1A1JAK2MC4RTOP2A
SCHEMBL15411537 0.84 ALDH1A1 (0.43) ADORA2AALDH1A1JAK2MC4RTOP2A
SCHEMBL15411539 0.84 ALDH1A1 (0.43) ADORA2AALDH1A1JAK2MC4RTOP2A
SCHEMBL15411621 0.83 ADORA2A (0.39) ADORA2AALDH1A1JAK2MC4RTOP2A
SCHEMBL15411069 0.76 EGLN2 (0.42) ADORA2AJAK2MC4RTOP2AFYN
SCHEMBL15410874 0.75 EGLN2 (0.40) ADORA2AALDH1A1MC4RTOP2AFYN
SCHEMBL18076251 0.74 MALT1 (0.40) ADORA2AALDH1A1TOP2AFYNPIK3CG

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
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

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 1511/4885ALDH1A1 134/4885JAK2 2421/4885

“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.