SCHEMBL2249798

SCHEMBL2249798

CC(N)(OC(=O)C(F)(F)F)c1nn2ccccc2c1-c1cc(F)cc(F)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.34
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
EGFR P00533 2/20 0.34
RAF1 P04049 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2B P29275 1/20 0.34
GSK3B P49841 1/20 0.34
MAPK14 Q16539 1/20 0.34
PDE4B Q07343 2/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
PIK3CD O00329 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
MAPK1 P28482 2/20 0.31
MEN1 O00255 1/20 0.31
PDE5A O76074 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 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
Trifluoroacetic Acid SCHEMBL2015320 0.72 PDE4B (0.41) GRIN2BADORA2AADORA1EGFRRAF1
SCHEMBL12357193 0.66 PDE4B (0.43) ADORA2AADORA1EGFRRAF1ADORA3
SCHEMBL2246830 0.66 EGFR (0.43) ADORA2AADORA1EGFRRAF1ADORA3
SCHEMBL2037441 0.65 PDE4B (0.46) ADORA2AADORA1EGFRRAF1ADORA3
SCHEMBL27110035 0.61 MAPK14 (0.56) GRIN2BADORA2AADORA1EGFRRAF1
SCHEMBL4867464 0.61 MAPK14 (0.46) ADORA2AADORA1EGFRRAF1ADORA3
SCHEMBL26189772 0.60 EGFR (0.37) ADORA2AADORA1EGFRRAF1ADORA3
SCHEMBL15826874 0.59 PDE4B (0.38) ADORA2AADORA1EGFRRAF1ADORA3
SCHEMBL16223183 0.59 MIF (0.44) ADORA2AADORA1EGFRGSK3BPDE4B
SCHEMBL35212140 0.59 MIF (0.41) ADORA2AADORA1EGFRGSK3BPDE4B

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-9403847-B2 Substituted heteroaryl fused derivatives as P13K inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-08-02 US disclosed
US-20140275127-A1 SUBSTITUTED HETEROARYL FUSED DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2014-09-18 US disclosed
US-8759359-B2 Substituted heteroaryl fused derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-06-24 US disclosed
US-20110190319-A1 SUBSTITUTED HETEROARYL FUSED DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-08-04 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-20110190319-A1 SUBSTITUTED HETEROARYL FUSED DERIVATIVES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3R5 GRIN2B 2095/4885ADORA2A 3611/4885ADORA1 4143/4885
US-20140275127-A1 SUBSTITUTED HETEROARYL FUSED DERIVATIVES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3R5 GRIN2B 2095/4885ADORA2A 3611/4885ADORA1 4143/4885

“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.