SCHEMBL536840

SCHEMBL536840

CC(=O)Nc1ncnc2c1NC=[N+]2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
BRAF P15056 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
LMNA P02545 2/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
MAPT P10636 2/20 0.31
DYRK1A Q13627 1/20 0.30
PTGS2 P35354 1/20 0.30
GDA Q9Y2T3 1/20 0.30
MEN1 O00255 1/20 0.30
CA12 O43570 1/20 0.30
BRD4 O60885 1/20 0.30
NR1I2 O75469 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
MB P02144 1/20 0.30
CYP1A1 P04798 1/20 0.30

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
SCHEMBL9564706 0.76 ALDH1A1 (0.31) ALDH1A1
SCHEMBL8781884 0.68 CYP1A2 (0.38) L3MBTL1ALDH1A1KDM4EMAPTKMT2A
SCHEMBL8883709 0.65 MAPK8 (0.37) LMNAALDH1A1KDM4EMAPTMEN1
SCHEMBL8886489 0.65 HTR1A (0.35) L3MBTL1LMNAKDM4EGDA
SCHEMBL26779045 0.65 SLC6A5 (0.42) L3MBTL1BRAFABCG2RXFP1LMNA
SCHEMBL15942898 0.62 L3MBTL1 (0.47) L3MBTL1BRAFABCG2RXFP1LMNA
SCHEMBL536914 0.62 BRAF (0.47) L3MBTL1BRAFABCG2GDABRD4
SCHEMBL26800760 0.61 CDK1 (0.58) L3MBTL1BRAFRXFP1LMNAALDH1A1
SCHEMBL536913 0.61 BRAF (0.72) BRAFHTTBRD4CYP3A4TSHR
SCHEMBL29475418 0.61 BRAF (0.72) BRAFHTTBRD4CYP3A4TSHR

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
EP-2415777-B1 PROCESS FOR PRODUCING NUCLEOSIDE TAKEDA PHARMACEUTICAL (JP) 2015-07-29 EP disclosed
US-8653254-B2 Process for producing nucleoside TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-02-18 US disclosed
US-20120071646-A1 PROCESS FOR PRODUCING NUCLEOSIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-22 US disclosed
EP-2415777-A1 PROCESS FOR PRODUCING NUCLEOSIDE Takeda Pharmaceutical Company Limited (JP) 2012-02-08 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-20120071646-A1 PROCESS FOR PRODUCING NUCLEOSIDE NUDT1, PNP, HPRT1 L3MBTL1 3853/4885BRAF 1029/4885ABCG2 941/4885

“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.