SCHEMBL5822938

SCHEMBL5822938

Nc1ccn(-c2cccs2)c(=O)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
HSD17B10 Q99714 3/20 0.35
NPC1 O15118 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
PDE3A Q14432 3/20 0.35
PDE4D Q08499 1/20 0.35
SLC29A1 Q99808 1/20 0.35
MAPT P10636 4/20 0.33
LMNA P02545 4/20 0.33
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
THRB P10828 2/20 0.33

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
SCHEMBL15743155 0.75 CD38 (0.35) PDE3APDE4DSLC29A1MAPTLMNA
SCHEMBL5820389 0.72 LMNA (0.42) HSD17B10NPC1MAPTLMNAKDM4E
SCHEMBL2113288 0.72 SMN1; SMN2 (0.52) HSD17B10NPC1MAPTKDM4EALDH1A1
SCHEMBL5057838 0.70 CDC7 (0.47) ADORA2APDE3APDE4DSLC29A1MAPT
SCHEMBL21023887 0.70 HCAR1 (0.40) PDE3AMAPTLMNATHRBCACNA1F
SCHEMBL19867780 0.69 GAA (0.42) CYP3A4PDE3APDE4DSLC29A1MAPT
SCHEMBL17965651 0.69 FGFR1 (0.43) HSD17B10NPC1CYP1A2CYP2C19CYP3A4
SCHEMBL22421269 0.68 LMNA (0.35) PDE3APDE4DSLC29A1MAPTLMNA
SCHEMBL10417623 0.68 HSD17B10 (0.35) ADORA2AADORA1HSD17B10NPC1CYP1A2
SCHEMBL4662853 0.67 CRBN (0.52) PDE3AKDM4ESMN1; SMN2FGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3739785-B2 2006-01-25 JP claimed
US-20040265802-A9 ENHANCED TRIPLE-HELIX AND DOUBLE-HELIX FORMATION WITH OLIGOMERS CONTAINING MODIFIED PYRIMIDINES FROEHLER BRIAN (US) 2004-12-30 US claimed
US-20030170680-A1 Enhanced triple-helix and double-helix formation with oligomers containing modified pyrimidines FROEHLER BRIAN (US) 2003-09-11 US claimed
US-20030096980-A1 Enhanced triple-helix and double-helix formation with oligomers containing modified pyrimidines ISIS PHARMACEUTICALS, INC. 2003-05-22 US claimed
EP-0637965-B1 ENHANCED TRIPLE-HELIX AND DOUBLE-HELIX FORMATION WITH OLIGOMERS CONTAINING MODIFIED PYRIMIDINES ISIS PHARMACEUTICALS INC (US) 2002-10-16 EP claimed
EP-0637965-A4 ENHANCED TRIPLE-HELIX AND DOUBLE-HELIX FORMATION WITH OLIGOMERS CONTAINING MODIFIED PYRIMIDINES. GILEAD SCIENCES INC (US) 1996-01-24 EP claimed
EP-0637965-A1 ENHANCED TRIPLE-HELIX AND DOUBLE-HELIX FORMATION WITH OLIGOMERS CONTAINING MODIFIED PYRIMIDINES GILEAD SCIENCES, INC. (US) 1995-02-15 EP claimed
WO-1993010820-A1 ENHANCED TRIPLE-HELIX AND DOUBLE-HELIX FORMATION WITH OLIGOMERS CONTAINING MODIFIED PYRIMIDINES GILEAD SCIENCES, INC. (US) 1993-06-10 WO claimed

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-20030170680-A1 Enhanced triple-helix and double-helix formation with oligomers containing modified pyrimidines NUDT1, DHX15, DDX5 ADORA2A 524/4885ADORA1 309/4885HSD17B10 4318/4885
US-20040265802-A9 ENHANCED TRIPLE-HELIX AND DOUBLE-HELIX FORMATION WITH OLIGOMERS CONTAINING MODIFIED PYRIMIDINES NUDT1, DHX15, DDX5 ADORA2A 524/4885ADORA1 309/4885HSD17B10 4318/4885
US-20030096980-A1 Enhanced triple-helix and double-helix formation with oligomers containing modified pyrimidines NUDT1, DHX15, DDX5 ADORA2A 524/4885ADORA1 309/4885HSD17B10 4318/4885

“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.