SCHEMBL1775307

SCHEMBL1775307

CNC1CN(c2cc(N3CCOC[C@@H]3C)nc(N)n2)C1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.55
HRH4 Q9H3N8 14/20 0.52
PDPK1 O15530 2/20 0.47
ROCK1 Q13464 2/20 0.47
AURKB Q96GD4 2/20 0.47
AURKA O14965 1/20 0.47

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
SCHEMBL1774685 1.00 HRH3 (0.55) HRH3HRH4PDPK1ROCK1AURKB
SCHEMBL3083698 0.85 PDPK1 (0.58) PDPK1ROCK1AURKBAURKA
SCHEMBL1774333 0.84 HRH3 (0.63) HRH3HRH4
SCHEMBL2448685 0.78 CRHBP (0.61) HRH3HRH4PDPK1ROCK1AURKB
SCHEMBL1318430 0.77 CYP1A2 (0.60) PDPK1ROCK1AURKBAURKA
SCHEMBL604610 0.77 HRH4 (0.71) HRH3HRH4
SCHEMBL1773938 0.76 HRH4 (0.79) HRH3HRH4
SCHEMBL1774835 0.76 HRH4 (0.78) HRH3HRH4
SCHEMBL604367 0.76 HRH4 (0.73) HRH3HRH4
SCHEMBL602443 0.72 HRH4 (0.64) HRH3HRH4

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 HRH3 187/4885HRH4 184/4885PDPK1 1496/4885

“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.