SCHEMBL3343084

SCHEMBL3343084

Cc1cc(F)c(-n2ncccc2=O)cc1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.39
MKNK2 Q9HBH9 2/20 0.39
MAPK14 Q16539 3/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
TSHR P16473 1/20 0.35
MAP2K2 P36507 1/20 0.34
MAP2K1 Q02750 1/20 0.34
HPGD P15428 1/20 0.34
SIRT3 Q9NTG7 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
P2RX7 Q99572 1/20 0.34
ALDH1A1 P00352 1/20 0.33
RIPK2 O43353 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
TTR P02766 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL3342413 0.85 MKNK2 (0.39) MKNK1MKNK2CA12CA1CA2
SCHEMBL3343087 0.81 CA12 (0.38) MAPK14CA12CA1CA2CA9
SCHEMBL3342290 0.81 MAPK14 (0.38) MAPK14TSHRMAP2K2MAP2K1SIRT3
SCHEMBL17059042 0.78 CA12 (0.39) MAPK14CA12CA1CA2CA9
SCHEMBL3343670 0.77 CA1 (0.47) MKNK1MKNK2CA12CA1CA2
SCHEMBL6525684 0.77 CA12 (0.41) MKNK1MKNK2CA12CA1CA2
SCHEMBL3346868 0.75 CA12 (0.47) MAPK14CA12CA1CA2CA9
SCHEMBL5111285 0.75 CA12 (0.47) MAPK14CA12CA1CA2CA9
SCHEMBL1225354 0.70 CA12 (0.35) CA12CA1CA2CA9P2RX7
SCHEMBL31514120 0.69 CA12 (0.36) CA12CA1CA2CA9P2RX7

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 MKNK1 2405/4885MKNK2 2356/4885MAPK14 3280/4885
US-20110028502-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX7, P2RX3 MKNK1 1833/4885MKNK2 1750/4885MAPK14 2454/4885

“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.