SCHEMBL2060105

SCHEMBL2060105

Cc1ccc(Cn2cnc3c(N)nc(Cl)nc32)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE8A O60658 10/20 0.55
YTHDC1 Q96MU7 6/20 0.49
CDK1 P06493 1/20 0.49
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
ADORA2A P29274 1/20 0.44
PI4KA P42356 1/20 0.44

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
SCHEMBL13596787 0.84 PDE8A (0.62) PDE8AYTHDC1CDK1PDE4APDE4B
SCHEMBL10309722 0.83 PDE4A (0.43) PDE8ACDK1PDE4APDE4BPDE4C
SCHEMBL4470318 0.82 PDE8A (0.58) PDE8AYTHDC1CDK1PDE4APDE4B
SCHEMBL21076679 0.82 PDE8A (0.56) PDE8AYTHDC1CDK1PDE4APDE4B
SCHEMBL7204689 0.82 PDE8A (0.60) PDE8AYTHDC1CDK1PDE4APDE4B
SCHEMBL1146681 0.82 YTHDC1 (0.67) PDE8AYTHDC1CDK1PDE4APDE4B
SCHEMBL2060472 0.81 PDE4A (0.67) PDE8AYTHDC1CDK1PDE4APDE4B
SCHEMBL23764385 0.81 PDE8A (0.59) PDE8AYTHDC1CDK1PDE4APDE4B
SCHEMBL21076723 0.80 PDE8A (0.57) PDE8AYTHDC1CDK1PDE4APDE4B
SCHEMBL2060285 0.79 TLR7 (0.46) PDE4APDE4BPDE4CPDE4DADORA2A

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 PDE8A 1653/4885YTHDC1 2506/4885CDK1 606/4885
US-20060052403-A1 Novel adenine compound and use thereof ADORA1, P2RY10, HRH4 PDE8A 1653/4885YTHDC1 2506/4885CDK1 606/4885
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, HRH4, P2RY10 PDE8A 1665/4885YTHDC1 2271/4885CDK1 665/4885

“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.