SCHEMBL2060176

SCHEMBL2060176

COC(=O)c1cccc(CSc2nc(N)c3nc(O)n(Cc4ccccc4)c3n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.51
TBXA2R P21731 1/20 0.51
PTGDR2 Q9Y5Y4 1/20 0.49
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
RECQL P46063 1/20 0.46
RAB9A P51151 1/20 0.46
TP53 P04637 1/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ADORA2A P29274 3/20 0.43
ADORA1 P30542 3/20 0.43
HTT P42858 1/20 0.43
TLR7 Q9NYK1 1/20 0.42
ADORA2B P29275 1/20 0.42

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
SCHEMBL2060411 0.91 TP53 (0.53) DRD2TBXA2RPTGDR2NPC1SMN1; SMN2
SCHEMBL2060430 0.90 SMN1; SMN2 (0.52) NPC1SMN1; SMN2LMNARAB9AMEN1
SCHEMBL2060384 0.87 TLR7 (0.43) DRD2TBXA2RNPC1SMN1; SMN2RAB9A
SCHEMBL7205773 0.85 TLR7 (0.48) PTGDR2TP53KMT2AHTTTLR7
SCHEMBL2060205 0.84 ADORA3 (0.40) PTGDR2NPC1SMN1; SMN2LMNARAB9A
SCHEMBL10309751 0.84 ALDH1A1 (0.45) PTGDR2NPC1SMN1; SMN2LMNARAB9A
SCHEMBL2060463 0.83 DRD2 (0.48) DRD2TBXA2RNPC1SMN1; SMN2RAB9A
SCHEMBL7208339 0.83 ADORA3 (0.48) NPC1SMN1; SMN2LMNARAB9AADORA2A
SCHEMBL7205483 0.83 TOP2A (0.45) PTGDR2NPC1SMN1; SMN2LMNARAB9A
SCHEMBL2060381 0.82 CPB1 (0.48) SMN1; SMN2LMNAMEN1KMT2ATLR7

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
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-12 US disclosed
EP-1550662-B1 ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO (JP) 2012-07-04 EP disclosed
US-8148371-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-04-03 US disclosed
US-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO.,LTD. (JP) 2010-10-07 US disclosed
US-7754728-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-13 US disclosed
US-20060052403-A1 Novel adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2006-03-09 US disclosed
EP-1550662-A1 NOVEL ADENINE COMPOUND AND USE THEREOF SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2005-07-06 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 (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-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, P2RY10, HRH4 DRD2 920/4885TBXA2R 513/4885PTGDR2 1274/4885
US-20060052403-A1 Novel adenine compound and use thereof ADORA1, P2RY10, HRH4 DRD2 920/4885TBXA2R 513/4885PTGDR2 1274/4885
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, HRH4, P2RY10 DRD2 1018/4885TBXA2R 483/4885PTGDR2 1216/4885

“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.