SCHEMBL20094524

SCHEMBL20094524

COc1ccc2nc(C(F)F)nn2c1-c1cc(Cl)c2[nH]ncc2c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.39
PIK3CG P48736 2/20 0.32
MAOB P27338 3/20 0.32
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 1/20 0.30
PIK3CD O00329 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30
NOS1 P29475 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
MAOA P21397 1/20 0.30
ROCK2 O75116 1/20 0.30

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
SCHEMBL20094281 0.89 TRPA1 (0.39) PIK3CGPIK3CDPIK3CAPIK3CBROCK2
SCHEMBL20088567 0.87 ADORA2A (0.42) ADORA2ANOS1
SCHEMBL20094308 0.86 PIK3CG (0.40) ADORA2APIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL20094280 0.84 ADORA2A (0.39) ADORA2APIK3CGMAOBJAK2JAK1
SCHEMBL20094351 0.83 ADORA2A (0.38) ADORA2ANOS1
SCHEMBL20088588 0.77 ADORA2A (0.43) ADORA2ANOS1
SCHEMBL20088565 0.77 TRPA1 (0.42) ADORA2A
SCHEMBL20094652 0.76 ADORA2A (0.39) ADORA2ANOS1
SCHEMBL20088596 0.75 ADORA2A (0.41) ADORA2ANOS1
SCHEMBL20088626 0.75 ADORA2A (0.41) ADORA2ANOS1

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
EP-3532477-B1 FUSED BICYLIC PYRIDINE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-08-26 EP claimed
EP-3532477-B1 FUSED BICYLIC PYRIDINE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-08-26 EP disclosed
WO-2018080917-A1 FUSED BICYLIC PYRIDINE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 WO disclosed
US-20180111933-A1 FUSED BICYLIC PYRIDINE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-04-26 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-20180111933-A1 FUSED BICYLIC PYRIDINE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS GRIN1, GRIN3A, GRM1 ADORA2A 186/4885PIK3CG 1599/4885MAOB 846/4885

“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.