SCHEMBL1776137

SCHEMBL1776137

CN(C(=O)O)C1CN(c2cc(NCC(C)(C)C)nc(N)n2)C1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 16/20 0.64
HRH3 Q9Y5N1 6/20 0.44
AURKA O14965 1/20 0.41
PDPK1 O15530 1/20 0.41
AURKB Q96GD4 1/20 0.41
KCNH2 Q12809 1/20 0.40

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
SCHEMBL1773999 0.89 HRH4 (0.65) HRH4HRH3AURKAPDPK1AURKB
SCHEMBL12604970 0.88 HRH4 (0.59) HRH4HRH3AURKAPDPK1AURKB
SCHEMBL1775872 0.85 HRH4 (0.57) HRH4HRH3KCNH2
SCHEMBL1775160 0.84 HRH4 (0.53) HRH4HRH3KCNH2
SCHEMBL1775313 0.83 HRH4 (0.53) HRH4HRH3KCNH2
SCHEMBL1774217 0.83 HRH4 (0.53) HRH4HRH3KCNH2
SCHEMBL1775397 0.81 HRH4 (0.54) HRH4HRH3
SCHEMBL1776133 0.80 HRH4 (0.64) HRH4HRH3KCNH2
SCHEMBL1774659 0.80 HRH4 (0.77) HRH4HRH3KCNH2
SCHEMBL1775731 0.79 HRH4 (0.69) HRH4HRH3

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 187/4885AURKA 829/4885

“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.