SCHEMBL6522309

SCHEMBL6522309

CCn1c(Cl)nc2c(ncn2Cc2ccccc2)c1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 1/20 0.52
YTHDC1 Q96MU7 1/20 0.52
CDK1 P06493 1/20 0.46
PDE4A P27815 2/20 0.46
PDE4B Q07343 2/20 0.46
PDE4C Q08493 2/20 0.46
PDE4D Q08499 2/20 0.46
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
BRD4 O60885 1/20 0.45
ADORA2B P29275 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
ADORA2A P29274 2/20 0.45
PI4KA P42356 1/20 0.45
PI4K2B Q8TCG2 1/20 0.45
PI4K2A Q9BTU6 1/20 0.45
PI4KB Q9UBF8 1/20 0.45
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 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
SCHEMBL12795885 0.88 RXFP1 (0.47) YTHDC1SMN1; SMN2RXFP1ALDH1A1
SCHEMBL16298450 0.85 YTHDC1 (0.59) YTHDC1RXFP1ADORA2AALDH1A1CYP1A2
SCHEMBL12795888 0.83 YTHDC1 (0.46) YTHDC1RXFP1
SCHEMBL16298436 0.80 GAA (0.50) BRD4ADORA2BSMN1; SMN2RXFP1ADORA2A
SCHEMBL12795886 0.78 BRD4 (0.44) PDE4APDE4BPDE4CPDE4DBRD4
SCHEMBL12795890 0.78 SLC29A1 (0.41) YTHDC1PDE4APDE4BPDE4CPDE4D
SCHEMBL6520143 0.76 CDK1 (0.45) PNPYTHDC1CDK1PDE4APDE4B
SCHEMBL2048470 0.75 BRD4 (0.52) PNPBRD4ADORA2BSMN1; SMN2RXFP1
SCHEMBL14554321 0.75 CTSL (0.48) YTHDC1ADORA2A
SCHEMBL9199927 0.74 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DPDE3B

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-8349858-B2 Polycyclic guanine derivatives and use thereof MERCK SHARP & DOHME (US) 2013-01-08 US disclosed
US-8349858-B2 Polycyclic guanine derivatives and use thereof MERCK SHARP & DOHME (US) 2013-01-08 US disclosed
US-8349858-B2 Polycyclic guanine derivatives and use thereof MERCK SHARP & DOHME (US) 2013-01-08 US disclosed
US-20120316176-A1 DERIVATIVES OF 7,8-DIHYDRO-1H-IMIDAZO[2,1-b] PURIN-4(5H)-ONE and METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. 2012-12-13 US disclosed
US-20120316176-A1 DERIVATIVES OF 7,8-DIHYDRO-1H-IMIDAZO[2,1-b] PURIN-4(5H)-ONE and METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. 2012-12-13 US disclosed
US-20120316176-A1 DERIVATIVES OF 7,8-DIHYDRO-1H-IMIDAZO[2,1-b] PURIN-4(5H)-ONE and METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. 2012-12-13 US disclosed
WO-2011079000-A1 DERIVATIVES OF 7,8-DIHYDRO-1H-IMIDAZO[2,1-b]PURIN-4(5H)-ONE AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2011-06-30 WO disclosed
US-20110065738-A1 POLYCYCLIC GUANINE DERIVATIVES AND USE THEREOF SCHERING CORPORATION 2011-03-17 US disclosed
US-20110065738-A1 POLYCYCLIC GUANINE DERIVATIVES AND USE THEREOF SCHERING CORPORATION 2011-03-17 US disclosed
US-20110065738-A1 POLYCYCLIC GUANINE DERIVATIVES AND USE THEREOF SCHERING CORPORATION 2011-03-17 US disclosed
WO-2009002423-A2 POLYCYCLIC GUANINE DERIVATIVES AND USE THEREOF SCHERING CORPORATION (US) 2008-12-31 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 (2 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-20120316176-A1 DERIVATIVES OF 7,8-DIHYDRO-1H-IMIDAZO[2,1-b] PURIN-4(5H)-ONE and METHODS OF USE THEREOF P2RX7, P2RX4, P2RX3 PNP 308/4885YTHDC1 1679/4885CDK1 3960/4885
US-20110065738-A1 POLYCYCLIC GUANINE DERIVATIVES AND USE THEREOF GDA, HPRT1, GMPS PNP 47/4885YTHDC1 1755/4885CDK1 1444/4885

“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.