SCHEMBL1775880

SCHEMBL1775880

CN(C)[C@H]1CCN(c2cc(NCCC(C)(C)C)ncn2)C1

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 16/20 0.79
HRH3 Q9Y5N1 8/20 0.79
HRH2 P25021 2/20 0.62
PRCP P42785 1/20 0.42
JAK2 O60674 1/20 0.42
JAK3 P52333 1/20 0.42
MAP4K4 O95819 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
SCHEMBL1774629 1.00 HRH4 (0.79) HRH4HRH3HRH2PRCPJAK2
SCHEMBL1774053 1.00 HRH4 (0.79) HRH4HRH3HRH2PRCPJAK2
SCHEMBL1775104 0.91 HRH4 (0.64) HRH4HRH3HRH2PRCP
SCHEMBL1774070 0.88 HRH4 (1.00) HRH4HRH3HRH2PRCPJAK2
SCHEMBL1774799 0.88 HRH4 (1.00) HRH4HRH3HRH2PRCPJAK2
SCHEMBL18601608 0.84 HRH4 (0.76) HRH4HRH3HRH2PRCPJAK2
SCHEMBL1775396 0.84 HRH4 (0.76) HRH4HRH3HRH2PRCPJAK2
SCHEMBL1775322 0.84 HRH4 (0.65) HRH4HRH3HRH2PRCP
SCHEMBL1774309 0.83 HRH4 (0.63) HRH4HRH3HRH2
SCHEMBL1774730 0.83 HRH4 (0.63) HRH4HRH3HRH2

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
EP-1966162-B1 PYRIMIDINE DERIVATIVES ZIARCO PHARMA LTD (GB) 2017-03-15 EP disclosed
US-7943628-B2 Pyrimidine derivatives PFIZER LIMITED (GB) 2011-05-17 US disclosed
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.