SCHEMBL6525684

SCHEMBL6525684

Cc1c(F)cc(-n2ncccc2=O)cc1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
F10 P00742 2/20 0.38
RIPK2 O43353 1/20 0.36
P2RX7 Q99572 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
LMNA P02545 2/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAP2K2 P36507 1/20 0.34
MAP2K1 Q02750 1/20 0.34
KAT6A Q92794 1/20 0.34
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
FGFR1 P11362 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR3 P22607 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
SCHEMBL3346868 0.83 CA12 (0.47) CA12CA1CA2CA9F10
SCHEMBL5111285 0.83 CA12 (0.47) CA12CA1CA2CA9F10
SCHEMBL6525689 0.81 CA12 (0.44) CA12CA1CA2CA9F10
SCHEMBL3343670 0.80 CA1 (0.47) CA12CA1CA2CA9F10
SCHEMBL3343084 0.77 MKNK1 (0.39) CA12CA1CA2CA9F10
SCHEMBL31038311 0.77 CA12 (0.44) CA12CA1CA2CA9F10
SCHEMBL3094558 0.71 CA12 (0.50) CA12CA1CA2CA9F10
SCHEMBL2326300 0.71 CA12 (0.50) CA12CA1CA2CA9CYP3A4
SCHEMBL3834632 0.71 CA1 (0.51) CA12CA1CA2CA9F10
SCHEMBL1226329 0.70 CA12 (0.41) CA12CA1CA2CA9F10

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 2 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

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-20110028502-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX7, P2RX3 CA12 4774/4885CA1 3391/4885CA2 2046/4885

“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.