SCHEMBL3342290

SCHEMBL3342290

Cc1cnn(-c2cc(C(N)=O)c(C)cc2F)c(=O)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.38
NNMT P40261 2/20 0.38
TSHR P16473 1/20 0.35
MAP2K2 P36507 1/20 0.35
MAP2K1 Q02750 1/20 0.35
RIPK2 O43353 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TTR P02766 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PARP1 P09874 1/20 0.33
SIRT3 Q9NTG7 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SCN9A Q15858 1/20 0.32
TLR8 Q9NR97 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
SCHEMBL3343084 0.81 MKNK1 (0.39) MAPK14TSHRMAP2K2MAP2K1RIPK2
SCHEMBL3346920 0.76 RAB9A (0.45) NNMTTSHRRIPK2ALDH1A1LMNA
SCHEMBL1225829 0.70
SCHEMBL2182734 0.69 DGAT1 (0.44) NNMTTSHRMAP2K2MAP2K1ALDH1A1
SCHEMBL8042666 0.69 RIPK2 (0.49) MAPK14TSHRRIPK2LMNARAB9A
SCHEMBL32691671 0.67 TSHR (0.51) TSHRALDH1A1TTRLMNASMN1; SMN2
SCHEMBL3342413 0.65 MKNK2 (0.39) NNMTRIPK2ALDH1A1RAB9ASMN1; SMN2
SCHEMBL2858381 0.65 DGAT1 (0.40) NNMTSIRT3TDP1
SCHEMBL8154315 0.65 DGAT1 (0.40) NNMTTSHRMAP2K2MAP2K1ALDH1A1
SCHEMBL12506847 0.64 DGAT1 (0.42) NNMTTSHRMAP2K2MAP2K1ALDH1A1

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 MAPK14 3280/4885NNMT 1340/4885TSHR 1051/4885
US-20110028502-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX7, P2RX3 MAPK14 2454/4885NNMT 1340/4885TSHR 462/4885

“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.