SCHEMBL3344666

SCHEMBL3344666

COC[C@H](O)Cn1nc(-c2ccc(C)c(C(N)=O)c2)ccc1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
POLB P06746 2/20 0.45
MAPT P10636 3/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 2/20 0.43
PDE4A P27815 4/20 0.41
PDE4B Q07343 4/20 0.41
PDE4C Q08493 4/20 0.41
PDE4D Q08499 4/20 0.41
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.38
PKM P14618 2/20 0.38
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38
ATM Q13315 1/20 0.38
CYP2C9 P11712 1/20 0.37

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
SCHEMBL3348216 0.92 P2RX7 (0.44) MEN1KMT2APOLBMAPTKDM4E
SCHEMBL3342874 0.92 P2RX7 (0.44) MEN1KMT2APOLBMAPTKDM4E
SCHEMBL3344670 0.86 MEN1 (0.45) MEN1KMT2APOLBMAPTKDM4E
SCHEMBL3342438 0.79 P2RX7 (0.46) MEN1KMT2APOLBMAPTKDM4E
SCHEMBL3342220 0.79 P2RX7 (0.46) MEN1KMT2APOLBMAPTKDM4E
SCHEMBL3349282 0.79 CHUK (0.34) MAPTKDM4EALDH1A1LMNATSHR
SCHEMBL3343238 0.79 MEN1 (0.46) MEN1KMT2APOLBMAPTKDM4E
SCHEMBL1226652 0.77 POLB (0.46) MEN1KMT2APOLBMAPTKDM4E
SCHEMBL6516842 0.77 POLB (0.46) MEN1KMT2APOLBMAPTKDM4E
SCHEMBL3346565 0.77 P2RX7 (0.43) MEN1KMT2APOLBMAPTKDM4E

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 MEN1 2632/4885KMT2A 3250/4885POLB 4104/4885
US-20110028502-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX7, P2RX3 MEN1 2873/4885KMT2A 3668/4885POLB 4380/4885

“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.