SCHEMBL5485030

SCHEMBL5485030

N#Cc1ccc(Nc2ncnc3c2ncn3-c2cccc(Cl)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
CCNB2 O95067 1/20 0.49
CDK1 P06493 1/20 0.49
CCNB1 P14635 1/20 0.49
CCNB3 Q8WWL7 1/20 0.49
NPC1 O15118 2/20 0.45
ABCG2 Q9UNQ0 1/20 0.43
LMNA P02545 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
XDH P47989 1/20 0.41
TP53 P04637 3/20 0.40

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
SCHEMBL5479505 0.89 CCNB2 (0.55) MAPTCCNB2CDK1CCNB1CCNB3
SCHEMBL5486053 0.86 CCNB2 (0.52) MAPTCCNB2CDK1CCNB1CCNB3
SCHEMBL5477004 0.85 CCNB2 (0.48) MAPTCCNB2CDK1CCNB1CCNB3
SCHEMBL5472887 0.83 CCNB2 (0.52) MAPTCCNB2CDK1CCNB1CCNB3
SCHEMBL14431704 0.83 CCNB2 (0.49) MAPTCCNB2CDK1CCNB1CCNB3
SCHEMBL5468090 0.81 CCNB2 (0.52) MAPTCCNB2CDK1CCNB1CCNB3
SCHEMBL5475110 0.81 CCNB2 (0.54) MAPTCCNB2CDK1CCNB1CCNB3
SCHEMBL5472850 0.80 CCNB2 (0.53) MAPTCCNB2CDK1CCNB1CCNB3
SCHEMBL23436466 0.74 XDH (0.53) MAPTHPGDXDHPI4KAPI4K2B
SCHEMBL31061395 0.74 EGFR (0.59) MAPTCCNB2CDK1CCNB1CCNB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197559-A1 Aryl substituted purine analogues NEUROGEN CORPORATION 2007-08-23 US disclosed
US-20070197559-A1 Aryl substituted purine analogues NEUROGEN CORPORATION 2007-08-23 US disclosed
US-20070197559-A1 Aryl substituted purine analogues NEUROGEN CORPORATION 2007-08-23 US 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 (1 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-20070197559-A1 Aryl substituted purine analogues ADORA2A, GART, P2RX7 MAPT 4604/4885CCNB2 4127/4885CDK1 3769/4885

“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.