SCHEMBL12845145

SCHEMBL12845145

CCCCN1CCC(CNc2nc(C3OCNc4ccc(Cl)cc43)c3cn(C4CCCC4)nc3n2)CC1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.30
HTR3A P46098 1/20 0.30
HRH4 Q9H3N8 1/20 0.30

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
SCHEMBL2076641 0.84 PDE9A (0.34) HTR3AHRH4
SCHEMBL12845042 0.83 FLT3 (0.30)
SCHEMBL13061238 0.77 PIK3CA (0.35)
SCHEMBL13061258 0.74 NOS3 (0.34) HTR3AHRH4
SCHEMBL2078591 0.70 MAPT (0.38)
SCHEMBL13061508 0.67 KDM4E (0.34)
SCHEMBL2077826 0.65 PDE9A (0.39)
SCHEMBL2076738 0.65 PDE9A (0.35)
SCHEMBL2302147 0.64 PDE9A (0.39)
SCHEMBL2077472 0.64 PDE9A (0.35) HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053920-A1 SUBSTITUTED BICYCLIC PYRIMIDINES CEPHALON, INC. (US) 2011-03-03 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-20110053920-A1 SUBSTITUTED BICYCLIC PYRIMIDINES DPYD, P2RX5, P2RX7 GRIN2B 361/4885HTR3A 485/4885HRH4 613/4885

“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.