SCHEMBL4183274

SCHEMBL4183274

FC(F)(F)c1nn2ccccc2c1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.36
GSK3B P49841 3/20 0.35
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
RAF1 P04049 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2B P29275 1/20 0.35
MAPK14 Q16539 1/20 0.35
EPHB3 P54753 1/20 0.34
FLT1 P17948 2/20 0.34
FLT4 P35916 2/20 0.34
KDR P35968 2/20 0.34
GSK3A P49840 2/20 0.34
MIF P14174 2/20 0.33
MEN1 O00255 1/20 0.33
PDE5A O76074 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL16739779 0.81 EGFR (0.36) EGFRGSK3BADORA2AADORA1RAF1
SCHEMBL6629042 0.80 EGFR (0.35) EGFRGSK3BADORA2AADORA1RAF1
SCHEMBL21863677 0.80 EGFR (0.41) EGFRGSK3BADORA2AADORA1RAF1
SCHEMBL6629043 0.80 ALDH1A1 (0.36) EGFRGSK3BADORA2AADORA1RAF1
SCHEMBL31597368 0.76 DRD2 (0.34) EGFRGSK3BADORA2AADORA1RAF1
SCHEMBL1504722 0.76 ADAM17 (0.36) EGFRGSK3BADORA2AADORA1RAF1
SCHEMBL16223183 0.75 MIF (0.44) EGFRGSK3BADORA2AADORA1EPHB3
SCHEMBL1662676 0.75 EPHB3 (0.39) EGFRGSK3BADORA2AADORA1EPHB3
SCHEMBL12997416 0.74 ALDH1A1 (0.38) EGFRGSK3BADORA2AADORA1RAF1
SCHEMBL25025331 0.68 DRD2 (0.35) EGFRADORA2AADORA1MIFMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090143440-A1 Pyrazoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2009-06-04 US disclosed
US-20090143455-A1 Pyrazoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2009-06-04 US disclosed
EP-1943241-A1 PYRAZOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2008-07-16 EP disclosed
WO-2007051981-A1 PYRAZOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2007-05-10 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-20090143440-A1 Pyrazoles Useful in the Treatment of Inflammation ALOX15, ALOX12, ALOX15B EGFR 4764/4885GSK3B 4447/4885ADORA2A 1359/4885
US-20090143455-A1 Pyrazoles Useful in the Treatment of Inflammation ALOX15, ALOX12, ALOX15B EGFR 4766/4885GSK3B 4420/4885ADORA2A 1423/4885

“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.