SCHEMBL3349243

SCHEMBL3349243

Cc1cc(F)c(-c2ccc(=O)n(C)c2)cc1N

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 9/20 0.45
SOS1 Q07889 2/20 0.41
ADORA2A P29274 6/20 0.41
ADORA1 P30542 6/20 0.41
ADORA2B P29275 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
CREBBP Q92793 1/20 0.36
ATAD2 Q6PL18 1/20 0.36
TLR4 O00206 1/20 0.36
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36

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
SCHEMBL3349238 0.81 BRD4 (0.46) BRD4SOS1
SCHEMBL3347941 0.79 PIK3CD (0.40) BRD4SOS1CREBBPATAD2
SCHEMBL15552065 0.78 BRD4 (0.40) BRD4SOS1CREBBPTLR4TLR9
SCHEMBL15551039 0.76 BRD4 (0.66) BRD4ADORA2AADORA1ADORA2BCREBBP
SCHEMBL31207403 0.75 BRD4 (0.44) BRD4SOS1ADORA2AADORA1ADORA2B
SCHEMBL23166181 0.75 BRD4 (0.49) BRD4ADORA2AADORA1ADORA2BCREBBP
SCHEMBL29710178 0.75 BRD4 (0.49) BRD4ADORA2AADORA1ADORA2BCREBBP
SCHEMBL6523541 0.73 BRD4 (0.43) BRD4SOS1ADORA2AADORA1ADORA2B
SCHEMBL1912411 0.72 NSD2 (0.46) BRD4SOS1ADORA2AADORA1ADORA2B
SCHEMBL15552985 0.72 BRD4 (0.62) BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8435990-B2 Dihydropyrimidone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2013-05-07 US disclosed
US-20110028502-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS BROTHERTON-PLEISS CHRISTINE E 2011-02-03 US disclosed
US-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 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-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX6, P2RX3 BRD4 1409/4885SOS1 4609/4885ADORA2A 21/4885
US-20110028502-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX7, P2RX3 BRD4 1198/4885SOS1 3975/4885ADORA2A 19/4885

“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.