SCHEMBL1775967

SCHEMBL1775967

CN(C(=O)O)[C@@H]1CCN(c2cc(Cl)ncn2)C1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.45
HRH4 Q9H3N8 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
JAK1 P23458 4/20 0.40
JAK2 O60674 3/20 0.39
JAK3 P52333 4/20 0.38
MCHR1 Q99705 4/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
OGFRL1 Q5TC84 1/20 0.37
CHRM4 P08173 1/20 0.36

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
SCHEMBL1774211 1.00 MAP4K4 (0.45) MAP4K4HRH4HRH3JAK1JAK2
SCHEMBL17748984 0.92 OPRD1 (0.39) MAP4K4HRH4HRH3JAK1OPRD1
SCHEMBL1775092 0.90 P4HTM (0.35) MAP4K4HRH4HRH3JAK1JAK3
SCHEMBL1774527 0.84 HRH4 (0.58) MAP4K4HRH4HRH3JAK2JAK3
SCHEMBL1775585 0.84 HRH4 (0.58) MAP4K4HRH4HRH3JAK2JAK3
SCHEMBL6023882 0.81 LMNA (0.56) MAP4K4HRH4HRH3
SCHEMBL1775506 0.81 LMNA (0.56) MAP4K4HRH4HRH3
SCHEMBL5076739 0.81 LMNA (0.56) MAP4K4HRH4HRH3
SCHEMBL16854338 0.76 GPR119 (0.45) HRH4HRH3JAK1JAK2JAK3
SCHEMBL21858200 0.76 OPRM1 (0.39) MAP4K4HRH4HRH3MCHR1OPRM1

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 MAP4K4 3321/4885HRH4 184/4885HRH3 187/4885

“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.