SCHEMBL4881318

SCHEMBL4881318

COC(C)(OC)c1ccnc(-c2ccccc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.42
KDM4E B2RXH2 4/20 0.42
PKM P14618 1/20 0.42
CLK4 Q9HAZ1 3/20 0.40
MAPT P10636 6/20 0.39
MEN1 O00255 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ITK Q08881 1/20 0.38
SYK P43405 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HDAC4 P56524 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 2/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 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
SCHEMBL16420290 0.84 SYK (0.51) KMT2AKDM4EPKMMAPTMEN1
SCHEMBL31162575 0.84 SYK (0.51) KMT2AKDM4EPKMMAPTMEN1
SCHEMBL6225046 0.83 MEN1 (0.47) KMT2AKDM4ECLK4MAPTMEN1
SCHEMBL2138274 0.77 HDAC4 (0.56) KMT2AKDM4EPKMMAPTMEN1
SCHEMBL29524578 0.73 KMT2A (0.50) KMT2AKDM4EPKMCLK4MAPT
SCHEMBL15483941 0.73 KMT2A (0.50) KMT2AKDM4EPKMCLK4MAPT
SCHEMBL13757948 0.72 KMT2A (0.39) KMT2AKDM4EPKMCLK4MAPT
SCHEMBL25054811 0.71 SMN1; SMN2 (0.39) KMT2AKDM4EPKMMAPTMEN1
SCHEMBL5345094 0.71 NUDT1 (0.30)
SCHEMBL2032467 0.71 NUDT1 (0.49) POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080015353-A1 PROCESS FOR PRODUCTION OF 4-ACETYLPYRIMIDINES AND CRYSTALS THEREOF AJINOMOTO CO., INC. (JP) 2008-01-17 US disclosed
EP-1849761-A1 PROCESS FOR PRODUCTION OF 4-ACETYLPYRIMIDINES AND CRYSTALS THEREOF Ajinomoto Co., Inc. (JP) 2007-10-31 EP 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-20080015353-A1 PROCESS FOR PRODUCTION OF 4-ACETYLPYRIMIDINES AND CRYSTALS THEREOF DPYD, UMPS, PNPO KMT2A 133/4885KDM4E 200/4885PKM 509/4885

“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.