SCHEMBL20088560

SCHEMBL20088560

Cc1ccc2nc(C(F)(F)F)nn2c1-c1cc(Cl)c2[nH]ncc2c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.42
TRPA1 O75762 3/20 0.40
RPS6KB1 P23443 1/20 0.33
ROCK1 Q13464 1/20 0.33
RPS6KA1 Q15418 1/20 0.33
NOS1 P29475 1/20 0.32
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
MAPT P10636 1/20 0.31
NPC1 O15118 1/20 0.30
PKM P14618 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TRPM8 Q7Z2W7 1/20 0.30
TRPV1 Q8NER1 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
SCHEMBL20088593 0.93 ADORA2A (0.42) ADORA2ATRPA1RPS6KB1ROCK1RPS6KA1
SCHEMBL20088558 0.90 TRPA1 (0.50) ADORA2ATRPA1RXRARXRBRXRG
SCHEMBL20094365 0.88 ADORA2A (0.39) ADORA2ATRPA1RPS6KB1ROCK1RPS6KA1
SCHEMBL20088604 0.88 ADORA2A (0.40) ADORA2ATRPA1RPS6KB1ROCK1RPS6KA1
SCHEMBL20094280 0.87 ADORA2A (0.39) ADORA2ATRPA1MAPTTRPM8
SCHEMBL20088570 0.86 ADORA2A (0.40) ADORA2ATRPA1NOS1RXRARXRB
SCHEMBL20088574 0.85 ADORA2A (0.46) ADORA2ATRPA1NOS1MAPT
SCHEMBL20088566 0.84 ADORA2A (0.39) ADORA2ATRPA1RPS6KB1ROCK1RPS6KA1
SCHEMBL20088564 0.84 ADORA2A (0.39) ADORA2ATRPA1RPS6KB1ROCK1RPS6KA1
SCHEMBL20094527 0.83 ADORA2A (0.40) ADORA2ATRPA1RPS6KB1ROCK1RPS6KA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 186/4885TRPA1 593/4885RPS6KB1 932/4885

“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.