SCHEMBL12775794

SCHEMBL12775794

CCCc1ncnc2[nH]c(=O)ccc12

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.59
PDE3A Q14432 4/20 0.59
ENPP1 P22413 15/20 0.42
ADORA1 P30542 1/20 0.38
ENPP3 O14638 1/20 0.38

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
SCHEMBL13199870 0.89 PDE3B (0.48) PDE3BPDE3AENPP1
SCHEMBL12775783 0.87 PDE3B (0.57) PDE3BPDE3AENPP1ENPP3
SCHEMBL13199882 0.77 PDE3B (0.37) PDE3BPDE3AENPP1ENPP3
SCHEMBL13199873 0.77 ENPP1 (0.40) PDE3BPDE3AENPP1ENPP3
SCHEMBL12775903 0.76 PDE3B (0.36) PDE3BPDE3AENPP1ENPP3
SCHEMBL20220690 0.75 TTBK1 (0.49)
SCHEMBL10813255 0.74 PDE3B (1.00) PDE3BPDE3A
SCHEMBL2015028 0.74 PDE3B (0.53) PDE3BPDE3AENPP1ADORA1ENPP3
SCHEMBL23326745 0.72 ENPP1 (0.44) PDE3BPDE3AENPP1ENPP3
SCHEMBL12775877 0.71 ENPP1 (0.39) ENPP1ENPP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110059976-A1 PYRIDO PYRIMIDINONES, DIHYDRO PYRIMIDO PYRIMIDINONES AND PTERIDINONES USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2011-03-10 US disclosed
US-7767687-B2 Pyrido pyrimidinones, dihydro pyrimido pyrimidinones and pteridinones useful as RAF kinase inhibitors BIOGEN IDEC MA INC. (US) 2010-08-03 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-20110059976-A1 PYRIDO PYRIMIDINONES, DIHYDRO PYRIMIDO PYRIMIDINONES AND PTERIDINONES USEFUL AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF PDE3B 1744/4885PDE3A 1801/4885ENPP1 648/4885

“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.