SCHEMBL20088903

SCHEMBL20088903

Cc1nc2c(-c3cc(Cl)c4[nH]ncc4c3)c(C(F)(F)F)ccn2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.44
TRPA1 O75762 7/20 0.42
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
TRPM8 Q7Z2W7 3/20 0.33
TRPV1 Q8NER1 2/20 0.33
KDM4E B2RXH2 1/20 0.33
RPS6KB1 P23443 1/20 0.33
ROCK1 Q13464 1/20 0.33
RPS6KA1 Q15418 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
STAT3 P40763 1/20 0.32
STAT1 P42224 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SENP8 Q96LD8 1/20 0.32

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
SCHEMBL20088966 0.89 TRPA1 (0.54) ADORA2ATRPA1RXRARXRBRXRG
SCHEMBL20088862 0.88 ADORA2A (0.39) ADORA2ATRPA1RXRARXRBRXRG
SCHEMBL20088871 0.87 TRPA1 (0.40) ADORA2ATRPA1RXRARXRBRXRG
SCHEMBL20088904 0.87 ADORA2A (0.41) ADORA2ATRPA1RXRARXRBRXRG
SCHEMBL20085870 0.86 ADORA2A (0.50) ADORA2ATRPA1KDM4ENOS1
SCHEMBL20089011 0.86 ADORA2A (0.39) ADORA2ATRPA1RXRARXRBRXRG
SCHEMBL20089041 0.84 TRPA1 (0.37) ADORA2ATRPA1RXRARXRBRXRG
SCHEMBL20085860 0.81 ADORA2A (0.44) ADORA2ATRPA1RXRARXRBRXRG
SCHEMBL20088868 0.80 TRPA1 (0.53) ADORA2ATRPA1RXRARXRBRXRG
SCHEMBL20085881 0.80 ADORA2A (0.40) ADORA2ATRPA1RXRARXRBRXRG

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 5 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
US-10155769-B2 Fused azaheterocyclic compounds and their use as AMPA receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2018-12-18 US 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 (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-10155769-B2 Fused azaheterocyclic compounds and their use as AMPA receptor modulators GRIN3A, GRIN1, GRIN2B ADORA2A 135/4885TRPA1 1234/4885RXRA 365/4885
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.