SCHEMBL3343670

SCHEMBL3343670

Cc1ccc(-n2ncccc2=O)cc1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
LMNA P02545 2/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
P2RX7 Q99572 1/20 0.41
SIRT3 Q9NTG7 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
RIPK2 O43353 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HRH3 Q9Y5N1 2/20 0.37
MAPT P10636 2/20 0.36
KDM4E B2RXH2 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
SCHEMBL3346868 0.83 CA12 (0.47) CA1CA2CA12CA9LMNA
SCHEMBL31038311 0.83 CA12 (0.44) CA1CA2CA12CA9LMNA
SCHEMBL3346920 0.81 RAB9A (0.45) CA1CA2LMNARAB9ASMN1; SMN2
SCHEMBL5111285 0.81 CA12 (0.47) CA1CA2CA12CA9LMNA
SCHEMBL6525684 0.80 CA12 (0.41) CA1CA2CA12CA9LMNA
SCHEMBL3343676 0.80 CA12 (0.51) CA1CA2CA12CA9LMNA
SCHEMBL3342947 0.79 ALDH1A1 (0.41) CA1CA2LMNARAB9ASMN1; SMN2
SCHEMBL3342413 0.77 MKNK2 (0.39) CA1CA2CA12CA9RAB9A
SCHEMBL3343084 0.77 MKNK1 (0.39) CA1CA2CA12CA9P2RX7
SCHEMBL3342457 0.77 LRRK2 (0.47) LMNASIRT3TDP1MEN1KMT2A

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 CA1 3996/4885CA2 2648/4885CA12 4790/4885
US-20110028502-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX7, P2RX3 CA1 3391/4885CA2 2046/4885CA12 4774/4885

“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.