SCHEMBL5376580

SCHEMBL5376580

CSc1nc2cncnc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.41
HPGD P15428 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.34
EGFR P00533 5/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
LMNA P02545 1/20 0.32
KDM6B O15054 1/20 0.31
KDM4A O75164 1/20 0.31
KDM4D Q6B0I6 1/20 0.31
HIF1AN Q9NWT6 1/20 0.31
KDM2A Q9Y2K7 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
GFER P55789 1/20 0.31
CSNK2A2 P19784 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
SCHEMBL8219126 0.76 NUDT1 (0.37) NUDT1HPGDALDH1A1KDM4EMAPT
SCHEMBL13736844 0.75 SCN9A (0.47) SMN1; SMN2NPC1RAB9A
SCHEMBL2141779 0.75 EGFR (0.34) ALDH1A1SMN1; SMN2EGFR
SCHEMBL5021592 0.74 L3MBTL1 (0.35) ALDH1A1SMN1; SMN2EGFRL3MBTL1
SCHEMBL3265290 0.74 MEN1 (0.50) HPGDALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL18785373 0.74 METAP2 (0.38) HPGD
SCHEMBL312294 0.72 EGFR (0.38) NUDT1HPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL9654498 0.72 EGFR (0.40) EGFRCSNK2A2CSNK2BCSNK2A1
SCHEMBL23122416 0.71 ALDH1A1 (0.50) NUDT1HPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL1021063 0.71 EGFR (0.33) EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104918939-A Purine inhibitors of human phosphatidylinositol 3-kinase MERCK SHARP & DOHME 2015-09-16 CN disclosed
US-20070213362-A1 2-NH-HETEROARYLIMIDAZOLES WITH ANTIBACTERIAL ACTIVITY REPLIDYNE, INC. (US) 2007-09-13 US disclosed
US-7220757-B2 Compositions and methods for topical administration of 2-NH-heteroarylimidazoles REPLIDYNE, INC. (US) 2007-05-22 US disclosed
EP-1383925-B1 METHOD FOR LABELLING AND FRAGMENTING DNA BIO MERIEUX (FR) 2006-09-20 EP disclosed
US-7060441-B2 Method for fragmenting and labeling DNA involving abasic sites and phosphate labeling BIOMERIEUX (FR) 2006-06-13 US disclosed
US-20060014748-A1 2-NH-heteroarylimidazoles with antibacterial activity BERGE JOHN 2006-01-19 US disclosed
EP-1581220-A2 2-NH-HETEROARYLIMIDAZOLES WITH ANTIBACTERIAL ACTIVITY Replidyne, Inc. (US) 2005-10-05 EP disclosed
US-6943175-B2 2-NH-heteroarylimidazoles with antibacterial activity REPLIDYNE, INC. (US) 2005-09-13 US disclosed
US-20040147548-A1 2-NH-heteroarylimidazoles with antibacterial activity REPLIDYNE, INC. 2004-07-29 US disclosed
WO-2004052288-A2 2-NH-HETEROARYLIMIDAZOLES WITH ANTIBACTERIAL ACTIVITY REPLIDYNE, INC. (US) 2004-06-24 WO disclosed
EP-1383925-A2 METHOD FOR LABELLING AND FRAGMENTING DNA BIO MERIEUX (FR) 2004-01-28 EP disclosed
US-20030143555-A1 Fragmenting the DNA by creating at least one abasic site on DNA, attaching a marker to one of the fragments by means of labeling reagent which is covalently and predominantly coupling to the phosphate of the fragment BIO MERIEUX (FR) 2003-07-31 US disclosed
WO-2002090584-A2 METHOD FOR LABELLING AND FRAGMENTING DNA BIO MERIEUX (FR) 2002-11-14 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 (4 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-20040147548-A1 2-NH-heteroarylimidazoles with antibacterial activity NSUN3, TRMT1, NOP2 NUDT1 198/4885HPGD 2591/4885ALDH1A1 1318/4885
US-20070213362-A1 2-NH-HETEROARYLIMIDAZOLES WITH ANTIBACTERIAL ACTIVITY MET, ASNS, MRPS22 NUDT1 1533/4885HPGD 2312/4885ALDH1A1 2083/4885
US-20030143555-A1 Fragmenting the DNA by creating at least one abasic site on DNA, attaching a marker to one of the fragments by means of labeling reagent which is covalently and predominantly coupling to the phosphate of the fragment FEN1, DNMT1, UNG NUDT1 163/4885HPGD 3910/4885ALDH1A1 1360/4885
US-20060014748-A1 2-NH-heteroarylimidazoles with antibacterial activity TRMT1, NSUN3, NOP2 NUDT1 230/4885HPGD 2486/4885ALDH1A1 1422/4885

“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.