SCHEMBL2749680

SCHEMBL2749680

NCc1ccc(COc2ccnc(N)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 3/20 0.51
MAOB P27338 7/20 0.42
ROCK1 Q13464 5/20 0.40
LOXL2 Q9Y4K0 2/20 0.39
LOX P28300 1/20 0.39
ADRB2 P07550 1/20 0.38

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
SCHEMBL1034474 0.84 NUDT1 (0.55) NUDT1MAOBROCK1
SCHEMBL21513506 0.79 NUDT1 (0.48) NUDT1ROCK1
SCHEMBL359764 0.76 NUDT1 (0.53) NUDT1
SCHEMBL21513973 0.76 NUDT1 (0.46) NUDT1ROCK1
SCHEMBL2750032 0.76 NUDT1 (0.54) NUDT1MAOB
SCHEMBL31141585 0.76 SMN1; SMN2 (0.51) NUDT1MAOBLOXL2LOX
SCHEMBL2749327 0.76 SMN1; SMN2 (0.51) NUDT1MAOBLOXL2LOX
SCHEMBL21513517 0.74 NUDT1 (0.43) NUDT1ROCK1
SCHEMBL28189689 0.74 NUDT1 (0.61) NUDT1ROCK1
SCHEMBL2747687 0.72 PIN1 (0.56) NUDT1ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1874738-B1 PYRIMIDINES REACTING WITH O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE COVALYS BIOSCIENCES AG (CH) 2016-06-29 EP disclosed
US-8178314-B2 Pyrimidines reacting with O6-alkylguanine-DNA alkyltransferase fusion protein and method for detecting protein COVALYS BIOSCIENCES AG (CH) 2012-05-15 US disclosed
US-20090186373-A1 Pyrimidines reacting with O6-Alkylguanine-DNA alkyltransferase COVALYS BIOSCIENCES AG (CH) 2009-07-23 US disclosed
WO-2008097190-A1 METHODS OF ELECTRICALLY DETECTING A NUCLEIC ACID BY MEANS OF AN ELECTRODE PAIR AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2008-08-14 WO disclosed
EP-1874738-A1 PYRIMIDINES REACTING WITH O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE Covalys Biosciences AG (CH) 2008-01-09 EP disclosed
WO-2006114409-A9 PYRIMIDINES REACTING WITH O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE COVALYS BIOSCIENCES AG (CH) 2007-10-18 WO disclosed
WO-2006114409-A1 PYRIMIDINES REACTING WITH O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE COVALYS BIOSCIENCES AG (CH) 2006-11-02 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-20090186373-A1 Pyrimidines reacting with O6-Alkylguanine-DNA alkyltransferase HPRT1, UNG, DPYD NUDT1 8/4885MAOB 787/4885ROCK1 4452/4885

“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.