SCHEMBL5153086

SCHEMBL5153086

CN1CC2CN(c3cc(NCCC(C)(C)C)nc(N)n3)CC2C1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 19/20 0.73
HRH3 Q9Y5N1 5/20 0.46
HRH2 P25021 1/20 0.46
KCNH2 Q12809 1/20 0.42

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
SCHEMBL5149933 0.88 HRH4 (0.72) HRH4HRH3KCNH2
SCHEMBL18636737 0.86 HRH4 (0.78) HRH4HRH3HRH2KCNH2
SCHEMBL1775157 0.86 HRH4 (0.55) HRH4HRH3KCNH2
SCHEMBL5150040 0.86 HRH4 (0.55) HRH4HRH3KCNH2
SCHEMBL5157395 0.85 HRH4 (0.57) HRH4HRH3KCNH2
SCHEMBL4754214 0.84 HRH4 (0.74) HRH4HRH3HRH2KCNH2
SCHEMBL12605057 0.84 HRH4 (1.00) HRH4HRH3KCNH2
SCHEMBL4754217 0.84 HRH4 (0.74) HRH4HRH3HRH2KCNH2
SCHEMBL12605080 0.84 HRH4 (0.73) HRH4HRH3HRH2
SCHEMBL1774633 0.81 HRH4 (0.73) HRH4HRH3KCNH2

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-20070185075-A1 Pyrimidine derivatives PFIZER LIMITED 2007-08-09 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-20070185075-A1 Pyrimidine derivatives TYMS, DPYD, TYMP HRH4 184/4885HRH3 187/4885HRH2 257/4885

“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.