SCHEMBL4256097

SCHEMBL4256097

Cc1nc(N)cc(N(C)C)n1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NOS3 P29474 7/20 0.38
NOS2 P35228 6/20 0.38
NOS1 P29475 6/20 0.38
TSHR P16473 1/20 0.36
SMPD3 Q9NY59 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
MAP4K4 O95819 1/20 0.32
BACE1 P56817 1/20 0.31

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
SCHEMBL19710952 0.83 NOS3 (0.35) NOS3NOS2NOS1
SCHEMBL19678816 0.79 NOS3 (0.33) NOS3NOS2NOS1
SCHEMBL10375772 0.77 LMNA (0.43) NUDT1MEN1KMT2ANOS3NOS2
SCHEMBL171325 0.77
SCHEMBL2757263 0.76 KMT2A (0.61) NUDT1MEN1KMT2ATSHRTAAR1
SCHEMBL16543303 0.74 NOS2 (0.40) MEN1KMT2ANOS3NOS2NOS1
SCHEMBL1369489 0.73 KMT2A (0.52) NUDT1MEN1KMT2ATSHRTAAR1
SCHEMBL11190041 0.73 MEN1 (0.42) NUDT1MEN1KMT2ATSHRTAAR1
SCHEMBL9413906 0.72 TSHR (0.41) NUDT1MEN1KMT2ATSHR
SCHEMBL1576638 0.70 NUDT1 (0.65) NUDT1MEN1KMT2ATSHRSMPD3

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
WO-2023229685-A2 BROAD-SPECTRUM INHIBITORS OF CYTOMEGALOVIRUS MICROBIOTIX, INC. (US) 2023-11-30 WO disclosed
US-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. (US) 2017-12-07 US disclosed
US-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMECUTICAL CO., LTD. (JP) 2009-02-05 US disclosed
EP-0019811-A1 Pyrimidine compounds, process for their preparation, pharmaceutical compositions containing them and their therapeutical use CIBA-GEIGY AG (CH) 1980-12-10 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 (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-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS DUT, NCL, TYMP NUDT1 25/4885MEN1 2093/4885KMT2A 2226/4885
US-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF GPR119, HCRTR2, MCHR1 NUDT1 96/4885MEN1 2494/4885KMT2A 857/4885

“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.