SCHEMBL2809975

SCHEMBL2809975

CC(=NO)c1ncc(Nc2c(F)cccc2C(F)(F)F)cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.37
JAK1 P23458 2/20 0.37
JAK3 P52333 2/20 0.37
JAK2 O60674 2/20 0.37
MAPK10 P53779 2/20 0.33
SYK P43405 1/20 0.33
MAP4K1 Q92918 1/20 0.32
CYP2C9 P11712 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
KCNH2 Q12809 1/20 0.32
MAPK14 Q16539 1/20 0.32
MAPT P10636 1/20 0.32
DHODH Q02127 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL2809973 1.00 PTGS2 (0.37) PTGS2JAK1JAK3JAK2MAPK10
SCHEMBL2782296 0.86 PTGS2 (0.44) PTGS2JAK1JAK3JAK2MAPK10
SCHEMBL2808733 0.82 PTGS2 (0.38) PTGS2JAK1JAK3JAK2MAPK10
SCHEMBL2808729 0.82 PTGS2 (0.38) PTGS2JAK1JAK3JAK2MAPK10
SCHEMBL2800931 0.81 JAK1 (0.46) PTGS2JAK1JAK3JAK2MAPK10
Hydrochloric Acid SCHEMBL184840 0.80 JAK1 (0.46) PTGS2JAK1JAK3JAK2MAPK10
SCHEMBL28797574 0.76 PTGS2 (0.38) PTGS2JAK1JAK3JAK2MAPK10
SCHEMBL27870347 0.74 PTGS2 (0.44) PTGS2JAK1JAK3JAK2MAPK10
SCHEMBL185749 0.73 PTGS2 (0.40) PTGS2JAK1JAK3JAK2MAPK10
SCHEMBL186439 0.73 TDO2 (0.40) PTGS2JAK1JAK3JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 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-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 PTGS2 3027/4885JAK1 936/4885JAK3 2297/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 PTGS2 3027/4885JAK1 936/4885JAK3 2297/4885

“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.