SCHEMBL6885089

SCHEMBL6885089

Cc1csc(-c2c[nH]c(=O)nc2N)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.40
NOS1 P29475 1/20 0.40
GLA P06280 1/20 0.38
ADORA2A P29274 4/20 0.36
MIF P14174 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
PDE10A Q9Y233 1/20 0.35
RAB9A P51151 5/20 0.35
NPC1 O15118 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HCRTR1 O43613 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL1928655 0.76 SMN1; SMN2 (0.45) SMN1; SMN2NOS1GLAADORA2APDE10A
SCHEMBL6890297 0.75 NOS1 (0.38) NOS1ADORA2AGABRA1GABRG2GABRB3
SCHEMBL5064948 0.74 ADORA2A (0.40) NOS1ADORA2AALDH1A1HPGDHSD17B10
SCHEMBL2745632 0.72 ATAD2 (0.44) SMN1; SMN2GLAADORA2AMIFGABRA1
SCHEMBL13680755 0.71 CYP2E1 (0.44) GLAADORA2AMIFGABRA1GABRG2
SCHEMBL22008 0.69
SCHEMBL1231792 0.69 ATAD2 (0.37)
SCHEMBL30609151 0.69
SCHEMBL5068132 0.68 IDO1 (0.38) SMN1; SMN2ADORA2ARAB9ANPC1KDM4E
SCHEMBL5069269 0.68 NPC1 (0.49) NOS1ADORA2ARAB9ANPC1ALDH1A1

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653248-B2 2-aminopyridine and 2-pyridone C-nucleosides ISIS PHARMACEUTICALS, INC. (US) 2014-02-18 US disclosed
EP-0869937-A4 NOVEL AMIDE-BASED CATIONIC LIPIDS PROMEGA BIOSCIENCES INC (US) 2004-07-21 EP disclosed
US-6670393-B2 For delivery of macromolecules into cells PROMEGA BIOSCIENCES, INC. 2003-12-30 US disclosed
US-6638529-B2 Lipid copound for use in the transfer macromolecules in cells GENTA INCORPORATED 2003-10-28 US disclosed
US-6610664-B2 Amides and chemical intermediates used for lipofection of nucleic acids or peptides into prokaryotic or eukaryotic cells; drug delivery ISIS PHARMACEUTICALS, INC. 2003-08-26 US disclosed
US-20030120065-A1 2-aminopyridine and 2-pyridone C-nucleosides ISIS PHARMACEUTICALS, INC. 2003-06-26 US disclosed
EP-0968227-B1 DIMERIC CATIONIC LIPIDS ON DICYSTINE BASIS PROMEGA BIOSCIENCES INC (US) 2003-05-28 EP disclosed
US-20030097011-A1 Novel carbamate-based cationic lipids PROMEGA BIOSCIENCES, INC. (US) 2003-05-22 US disclosed
US-20030069392-A1 Cationic lipids LIN KUEI-YING (US) 2003-04-10 US disclosed
US-6495672-B1 DIAGNOSIS AND SEPARATION THROUGH TRIPLEX BINDING ISIS PHARMACEUTICALS, INC. 2002-12-17 US disclosed
EP-0840744-A1 PHOSPHONIC ACID-BASED CATIONIC LIPIDS GENTA INCORPORATED (US) 1998-05-13 EP disclosed
EP-0830368-A1 NOVEL CARBAMATE-BASED CATIONIC LIPIDS GENTA INCORPORATED (US) 1998-03-25 EP disclosed
US-5705693-A LIPIDS WITH CATIONS FOR GENETIC ENGINEERING, FORMING PEPTIDES INTO PROKAROTIC OR EUKAROTIC CELLS GILEAD SCIENCES, INC. (US) 1998-01-06 US disclosed
WO-1997049723-A1 CATIONIC LIPIDS FOR DELIVERY OF NUCLEIC ACID TO CELLS GILEAD SCIENCES, INC. (US) 1997-12-31 WO disclosed
WO-1996040726-A9 NOVEL CARBAMATE-BASED CATIONIC LIPIDS 1997-02-06 WO disclosed
WO-1997003939-A1 NOVEL AMIDE-BASED CATIONIC LIPIDS GENTA INCORPORATED (US) 1997-02-06 WO disclosed
WO-1996040725-A1 PHOSPHONIC ACID-BASED CATIONIC LIPIDS GENTA INCORPORATED (US) 1996-12-19 WO disclosed
WO-1996040726-A1 NOVEL CARBAMATE-BASED CATIONIC LIPIDS GENTA INCORPORATED (US) 1996-12-19 WO disclosed
WO-1996001841-A1 CATIONIC LIPIDS FOR DELIVERY OF NUCLEIC ACIDS TO CELLS GILEAD SCIENCES, INC. (US) 1996-01-25 WO disclosed
WO-1996001840-A1 CATIONIC LIPIDS FOR DELIVERY OF NUCLEIC ACIDS TO CELLS GILEAD SCIENCES, INC. (US) 1996-01-25 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 (3 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-20030069392-A1 Cationic lipids PHOSPHO1, CETP, PCTP SMN1; SMN2 4824/4885NOS1 3721/4885GLA 2941/4885
US-20030120065-A1 2-aminopyridine and 2-pyridone C-nucleosides NT5C2, NT5C3B, TYMP SMN1; SMN2 599/4885NOS1 4336/4885GLA 4402/4885
US-20030097011-A1 Novel carbamate-based cationic lipids SGMS1, CETP, PCYT1A SMN1; SMN2 4629/4885NOS1 3359/4885GLA 1933/4885

“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.