SCHEMBL1226652

SCHEMBL1226652

COCC(O)Cn1nc(-c2c[c]c(C)cc2)ccc1=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
KDM4E B2RXH2 5/20 0.44
HSD17B10 Q99714 4/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.39
MAPT P10636 2/20 0.38
MAPK1 P28482 2/20 0.38
HTT P42858 1/20 0.38
GAA P10253 1/20 0.38
CYP1A2 P05177 1/20 0.37
TP53 P04637 1/20 0.37
USP2 O75604 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
SCHEMBL6516842 1.00 POLB (0.46) POLBKDM4EHSD17B10ALDH1A1MEN1
SCHEMBL1226624 0.89 KDM4E (0.42) POLBKDM4EHSD17B10ALDH1A1KMT2A
SCHEMBL1226333 0.89 KDM4E (0.42) POLBKDM4EHSD17B10ALDH1A1KMT2A
SCHEMBL1225793 0.89 KDM4E (0.42) POLBKDM4EHSD17B10ALDH1A1KMT2A
SCHEMBL3344670 0.80 MEN1 (0.45) POLBKDM4EHSD17B10ALDH1A1MEN1
SCHEMBL1226731 0.77 KMT2A (0.31) KMT2A
SCHEMBL1226640 0.77 KMT2A (0.31) KMT2A
SCHEMBL3344666 0.77 MEN1 (0.45) POLBKDM4EHSD17B10ALDH1A1MEN1
SCHEMBL1225799 0.76 HRH3 (0.45) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL1226732 0.76 HPGD (0.36) KDM4EALDH1A1KMT2ATSHRMAPT

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 4 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
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 POLB 4380/4885KDM4E 2728/4885HSD17B10 4340/4885

“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.