SCHEMBL1775940

SCHEMBL1775940

CC(C)CNc1cc(N2CC[C@@H](N(C)C)C2)ncn1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 12/20 0.71
HRH3 Q9Y5N1 3/20 0.71
MAP4K4 O95819 1/20 0.43
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43
LRRK2 Q5S007 1/20 0.43
PRCP P42785 3/20 0.39

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
SCHEMBL1774878 1.00 HRH4 (0.71) HRH4HRH3MAP4K4JAK2JAK3
SCHEMBL1775396 0.86 HRH4 (0.76) HRH4HRH3MAP4K4JAK2JAK3
SCHEMBL18601608 0.86 HRH4 (0.76) HRH4HRH3MAP4K4JAK2JAK3
SCHEMBL1777786 0.84 HRH4 (0.73) HRH4HRH3MAP4K4JAK2JAK3
SCHEMBL1774115 0.84 HRH4 (0.73) HRH4HRH3MAP4K4JAK2JAK3
SCHEMBL1774070 0.83 HRH4 (1.00) HRH4HRH3MAP4K4JAK2JAK3
SCHEMBL1774799 0.83 HRH4 (1.00) HRH4HRH3MAP4K4JAK2JAK3
SCHEMBL1775267 0.82 HRH4 (0.68) HRH4HRH3
SCHEMBL1774331 0.82 HRH4 (0.68) HRH4HRH3
SCHEMBL1775880 0.81 HRH4 (0.79) HRH4HRH3MAP4K4JAK2JAK3

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 187/4885MAP4K4 3321/4885

“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.