SCHEMBL20088904

SCHEMBL20088904

CC(C)c1nc2c(-c3cc(Cl)c4[nH]ncc4c3)c(C(F)(F)F)ccn2n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.41
TRPA1 O75762 5/20 0.38
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
TRPM8 Q7Z2W7 2/20 0.32
TRPV1 Q8NER1 1/20 0.32
METAP2 P50579 1/20 0.30
NTRK1 P04629 1/20 0.30
PIK3CD O00329 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
PIK3R1 P27986 1/20 0.30
CYP2C19 P33261 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CG P48736 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
SCHEMBL20089011 0.91 ADORA2A (0.39) ADORA2ATRPA1RXRARXRBRXRG
SCHEMBL20088982 0.89 TRPA1 (0.50) ADORA2ATRPA1RXRARXRBRXRG
SCHEMBL20088903 0.87 ADORA2A (0.44) ADORA2ATRPA1RXRARXRBRXRG
SCHEMBL20088862 0.86 ADORA2A (0.39) ADORA2ATRPA1RXRARXRBRXRG
SCHEMBL20085877 0.86 ADORA2A (0.47) ADORA2ATRPA1PIK3CDPIK3R1PIK3CA
SCHEMBL20088871 0.84 TRPA1 (0.40) ADORA2ATRPA1RXRARXRBRXRG
SCHEMBL20089041 0.82 TRPA1 (0.37) ADORA2ATRPA1RXRARXRBRXRG
SCHEMBL20088875 0.81 TRPA1 (0.50) ADORA2ATRPA1RXRARXRBRXRG
SCHEMBL20088959 0.80 ADORA2A (0.39) ADORA2ATRPA1RXRARXRBRXRG
SCHEMBL20085843 0.79 ADORA2A (0.46) ADORA2ATRPA1

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-3532476-B1 FUSED AZAHETEROCYCLIC COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-08-19 EP claimed
EP-3532476-B1 FUSED AZAHETEROCYCLIC COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-08-19 EP disclosed
WO-2018080916-A1 FUSED AZAHETEROCYCLIC COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 WO disclosed
US-20180111942-A1 FUSED AZAHETEROCYCLIC 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-20180111942-A1 FUSED AZAHETEROCYCLIC COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS GRIN3A, GRIN1, GRIN2B ADORA2A 135/4885TRPA1 1234/4885RXRA 365/4885

“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.