SCHEMBL1775320

SCHEMBL1775320

CNC1CN(c2nc(N)nc(N)c2Cc2cccc(OC)c2)C1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHFR P00374 5/20 0.48
HTR6 P50406 1/20 0.47
HRH4 Q9H3N8 8/20 0.47
HRH3 Q9Y5N1 4/20 0.47
KCNH2 Q12809 3/20 0.47
ALDH1A1 P00352 1/20 0.44
CYP2D6 P10635 1/20 0.44
ATM Q13315 1/20 0.44
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
SLC2A1 P11166 1/20 0.42
CCR2 P41597 1/20 0.42
ADCY10 Q96PN6 1/20 0.41

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
SCHEMBL607201 0.85 HRH4 (0.59) HTR6HRH4HRH3KCNH2HRH2
SCHEMBL1775189 0.85 HTR6 (0.48) HTR6HRH4HRH3KCNH2HRH2
SCHEMBL1774855 0.84 HRH4 (0.52) HRH4HRH3KCNH2HRH2HRH1
SCHEMBL4390834 0.81 HRH4 (0.45) DHFRHRH4HRH3KCNH2HRH2
SCHEMBL1775955 0.79 HRH4 (0.52) HRH4HRH3KCNH2HRH2HRH1
SCHEMBL606606 0.78 HRH4 (0.46) DHFRHTR6HRH4HRH3KCNH2
SCHEMBL1774881 0.78 HRH4 (0.49) HRH4HRH3KCNH2HRH2HRH1
SCHEMBL1774376 0.78 HRH4 (0.47) HRH4HRH3KCNH2HRH2HRH1
SCHEMBL1776135 0.78 HRH4 (0.52) HTR6HRH4HRH3KCNH2ALDH1A1
SCHEMBL1775205 0.78 HRH4 (0.52) HTR6HRH4HRH3KCNH2ALDH1A1

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 DHFR 6/4885HTR6 2234/4885HRH4 184/4885

“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.