SCHEMBL1775671

SCHEMBL1775671

CNC1CCCN(c2nc(N)nc(N)c2C)C1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 18/20 0.67
HRH3 Q9Y5N1 4/20 0.49
DOT1L Q8TEK3 1/20 0.46
KCNH2 Q12809 1/20 0.45

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
SCHEMBL1773969 0.92 HRH4 (0.79) HRH4HRH3KCNH2
SCHEMBL1774373 0.85 HRH4 (0.60) HRH4HRH3KCNH2
SCHEMBL1773573 0.83 HRH4 (0.52) HRH4HRH3DOT1LKCNH2
SCHEMBL1776636 0.81 HRH4 (0.50) HRH4HRH3DOT1LKCNH2
SCHEMBL603620 0.80 HRH4 (1.00) HRH4HRH3KCNH2
SCHEMBL603621 0.80 HRH4 (1.00) HRH4HRH3KCNH2
SCHEMBL1775686 0.80 HRH4 (0.49) HRH4HRH3DOT1LKCNH2
SCHEMBL1774972 0.80 HRH4 (0.49) HRH4HRH3DOT1LKCNH2
SCHEMBL28818943 0.77 HRH4 (0.70) HRH4HRH3
SCHEMBL27926121 0.77 HRH4 (0.61) 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 5 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
EP-1966162-A2 PYRIMIDINE DERIVATIVES Pfizer Limited (GB) 2008-09-10 EP disclosed
US-20070185075-A1 Pyrimidine derivatives PFIZER LIMITED 2007-08-09 US disclosed
WO-2007072163-A2 PYRIMIDINE DERIVATIVES PFIZER LIMITED (GB) 2007-06-28 WO 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 187/4885DOT1L 1056/4885

“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.