SCHEMBL7948111

SCHEMBL7948111

Cc1nc(C)c(-c2cccc(OC(F)(F)F)c2)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.44
CLK2 P49760 1/20 0.44
HASPIN Q8TF76 1/20 0.44
GRM5 P41594 2/20 0.43
XDH P47989 2/20 0.43
FPR2 P25090 1/20 0.42
KCNH2 Q12809 1/20 0.42
SCN10A Q9Y5Y9 1/20 0.42
S1PR1 P21453 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
ATR Q13535 1/20 0.41
PRMT1 Q99873 2/20 0.41
GALR1 P47211 1/20 0.40
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
ADORA1 P30542 2/20 0.40
ADORA2A P29274 1/20 0.40
GRM2 Q14416 1/20 0.40
HSD11B1 P28845 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
SCHEMBL7940867 0.82 SMN1; SMN2 (0.49) DYRK1A
SCHEMBL985921 0.82 FPR2 (0.51) XDHFPR2FFAR1FFAR4
SCHEMBL17746038 0.80 FFAR1 (0.44) XDHFPR2ATRFFAR1FFAR4
SCHEMBL8192268 0.78 BRD4 (0.50) XDHCTSS
SCHEMBL5543913 0.75 TRPM8 (0.43) ADORA1ADORA2A
SCHEMBL7948113 0.75 RAB9A (0.47)
SCHEMBL10203124 0.75 XDH (0.52) DYRK1ACLK2HASPINGRM5XDH
SCHEMBL11912359 0.74 TP53 (0.50) DYRK1AGRM5KCNH2SCN10AS1PR1
SCHEMBL16481833 0.74 L3MBTL1 (0.64) GRM5XDHS1PR1
SCHEMBL28805621 0.74 FPR2 (0.45) XDHFPR2KCNH2SCN10AFFAR1

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
US-8236801-B2 2-aza-bicyclo[2.2.1]heptane derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-08-07 US disclosed
US-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-05 US disclosed
US-20110009401-A1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2011-01-13 US disclosed
WO-2010004507-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-01-14 WO disclosed
WO-2009104155-A1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-08-27 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-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR DYRK1A 1872/4885CLK2 3225/4885HASPIN 1327/4885
US-20110009401-A1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES HCRTR2, HCRTR1, HCAR2 DYRK1A 2744/4885CLK2 4263/4885HASPIN 2285/4885

“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.