SCHEMBL3343676

SCHEMBL3343676

Cc1ccc(-n2ncccc2=O)cc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA9 Q16790 2/20 0.51
MAPT P10636 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HRH3 Q9Y5N1 3/20 0.40
P2RX7 Q99572 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 1/20 0.39
KCNH2 Q12809 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
CASP1 P29466 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
SCHEMBL3346872 0.81 CA1 (0.51) CA12CA1CA2CA9HRH3
SCHEMBL10584952 0.81 CA12 (0.51) CA12CA1CA2CA9MAPT
SCHEMBL3343670 0.80 CA1 (0.47) CA12CA1CA2CA9MAPT
SCHEMBL3346925 0.78 MAPT (0.42) CA12CA1CA2CA9MAPT
SCHEMBL3834632 0.78 CA1 (0.51) CA12CA1CA2CA9HRH3
SCHEMBL6525689 0.78 CA12 (0.44) CA12CA1CA2CA9HRH3
SCHEMBL4670546 0.76 CA12 (0.65) CA12CA1CA2CA9MAPT
SCHEMBL30745149 0.76 CA12 (0.60) CA12CA1CA2CA9MAPT
SCHEMBL3342953 0.76 ALDH1A1 (0.47) MAPTMEN1KMT2AKDM4ENPSR1
SCHEMBL10459035 0.76 NPC1 (0.51) CA12CA1CA2CA9MAPT

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 CA12 4790/4885CA1 3996/4885CA2 2648/4885
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.