SCHEMBL5472887

SCHEMBL5472887

CC(C)(C)c1ccc(Nc2ncnc3c2ncn3-c2cccc(Cl)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.52
CDK1 P06493 1/20 0.52
CCNB1 P14635 1/20 0.52
CCNB3 Q8WWL7 1/20 0.52
PI4KA P42356 2/20 0.47
PI4K2B Q8TCG2 2/20 0.47
PI4K2A Q9BTU6 2/20 0.47
PI4KB Q9UBF8 2/20 0.47
MAPT P10636 5/20 0.47
TRPV1 Q8NER1 1/20 0.46
LMNA P02545 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
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

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
SCHEMBL14431704 0.89 CCNB2 (0.49) CCNB2CDK1CCNB1CCNB3PI4KA
SCHEMBL5477004 0.89 CCNB2 (0.48) CCNB2CDK1CCNB1CCNB3MAPT
SCHEMBL5479505 0.89 CCNB2 (0.55) CCNB2CDK1CCNB1CCNB3PI4KA
SCHEMBL5486053 0.86 CCNB2 (0.52) CCNB2CDK1CCNB1CCNB3PI4KA
SCHEMBL5475110 0.83 CCNB2 (0.54) CCNB2CDK1CCNB1CCNB3MAPT
SCHEMBL5485030 0.83 MAPT (0.52) CCNB2CDK1CCNB1CCNB3PI4KA
SCHEMBL5472850 0.82 CCNB2 (0.53) CCNB2CDK1CCNB1CCNB3PI4KA
SCHEMBL5468090 0.81 CCNB2 (0.52) CCNB2CDK1CCNB1CCNB3PI4KA
SCHEMBL5479650 0.81 TRPV1 (0.50) CCNB2CDK1CCNB1CCNB3PI4KA
SCHEMBL5489770 0.77 PI4KA (0.52) PI4KAPI4K2BPI4K2API4KBMAPT

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 CCNB2 4127/4885CDK1 3769/4885CCNB1 4098/4885

“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.