SCHEMBL3342953

SCHEMBL3342953

Cc1ccc(=O)n(-c2ccc(C)c(N)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 1/20 0.39
NPC1 O15118 4/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
MCL1 Q07820 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
CASP1 P29466 1/20 0.37
MAPK1 P28482 1/20 0.37
LMNA P02545 2/20 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
SCHEMBL12274727 0.81 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL3342947 0.79 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL3343676 0.76 CA12 (0.51) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL3346925 0.73 MAPT (0.42) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL29438150 0.73 BRD9 (0.52) ALDH1A1KMT2AMAPTSMN1; SMN2CYP1A2
SCHEMBL24185552 0.73 CA1 (0.49) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL2498179 0.73 PTGS2 (0.51) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL16474745 0.72 MAPK1 (0.52) ALDH1A1KMT2AMAPTNPSR1RAB9A
SCHEMBL30253500 0.71 RAB9A (0.46) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL3342526 0.71 P2RX7 (0.40) ALDH1A1MEN1KMT2AMAPTKDM4E

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 ALDH1A1 1506/4885MEN1 2632/4885KMT2A 3250/4885
US-20110028502-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX7, P2RX3 ALDH1A1 1357/4885MEN1 2873/4885KMT2A 3668/4885

“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.