SCHEMBL2060052

SCHEMBL2060052

COC(=O)Cc1cccc(Cn2cnc3c(N)nc(Cl)nc32)c1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 13/20 0.57
PDE8A O60658 4/20 0.53
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
CHKA P35790 1/20 0.47
TLR7 Q9NYK1 1/20 0.47

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
SCHEMBL5464136 0.89 TLR7 (0.47) YTHDC1PDE4APDE4BPDE4CPDE4D
SCHEMBL5466476 0.87 YTHDC1 (0.55) YTHDC1PDE8APDE4APDE4BPDE4C
SCHEMBL5469402 0.87 HDAC6 (0.61) YTHDC1
SCHEMBL3924398 0.86 YTHDC1 (0.77) YTHDC1PDE8A
SCHEMBL5467025 0.85 TLR7 (0.45) YTHDC1PDE4APDE4BPDE4CPDE4D
SCHEMBL5469427 0.84 TLR7 (0.56) YTHDC1PDE4APDE4BPDE4CPDE4D
SCHEMBL5465289 0.84 TLR7 (0.52) YTHDC1PDE4APDE4BPDE4CPDE4D
SCHEMBL2060130 0.84 TLR7 (0.66) YTHDC1TLR7
SCHEMBL5468212 0.84 TLR7 (0.57) YTHDC1TLR7
SCHEMBL5466522 0.84 TLR7 (0.45) YTHDC1PDE4APDE4BPDE4CPDE4D

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 11 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-20070225303-A1 8-Oxoadenine Compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-09-27 US disclosed
US-20070225303-A1 8-Oxoadenine Compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-09-27 US disclosed
US-20070225303-A1 8-Oxoadenine Compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-09-27 US disclosed
EP-1728792-A1 8-OXOADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-12-06 EP 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 (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-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, P2RY10, HRH4 YTHDC1 2506/4885PDE8A 1653/4885PDE4A 1399/4885
US-20070225303-A1 8-Oxoadenine Compound TLR7, CCR8, TLR8 YTHDC1 246/4885PDE8A 372/4885PDE4A 402/4885
US-20060052403-A1 Novel adenine compound and use thereof ADORA1, P2RY10, HRH4 YTHDC1 2506/4885PDE8A 1653/4885PDE4A 1399/4885
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, HRH4, P2RY10 YTHDC1 2271/4885PDE8A 1665/4885PDE4A 1189/4885

“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.