SCHEMBL1226329

SCHEMBL1226329

Cc1[c]cc(-n2ncccc2=O)cc1F

nearest known ligand 0.41

Predicted protein targets (top 15)

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 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
HRH3 Q9Y5N1 3/20 0.34
KCNH2 Q12809 1/20 0.34
P2RX7 Q99572 1/20 0.34
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31

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
SCHEMBL14955412 0.77 CA12 (0.49) CA12CA1CA2CA9F10
SCHEMBL1225380 0.76 CA12 (0.49) CA12CA1CA2CA9F10
SCHEMBL1226638 0.76 CA12 (0.49) CA12CA1CA2CA9F10
SCHEMBL6525689 0.74 CA12 (0.44) CA12CA1CA2CA9F10
SCHEMBL1225354 0.74 CA12 (0.35) CA12CA1CA2CA9F10
SCHEMBL3834632 0.72 CA1 (0.51) CA12CA1CA2CA9F10
SCHEMBL2326300 0.72 CA12 (0.50) CA12CA1CA2CA9CYP3A4
SCHEMBL3094558 0.72 CA12 (0.50) CA12CA1CA2CA9F10
SCHEMBL5111285 0.70 CA12 (0.47) CA12CA1CA2CA9F10
SCHEMBL6525684 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 5 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
EP-2459541-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS F. Hoffmann-La Roche AG (CH) 2012-06-06 EP disclosed
CN-102471284-A Dihydropyrimidone amides as P2X7 modulators HOFFMANN LA ROCHE 2012-05-23 CN disclosed
US-20110028502-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS BROTHERTON-PLEISS CHRISTINE E 2011-02-03 US disclosed
WO-2011012592-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-02-03 WO 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.