SCHEMBL1774585

SCHEMBL1774585

CC[C@@H](C)Nc1cc(N2CC(NC)C2)ncn1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 11/20 0.48
HRH3 Q9Y5N1 5/20 0.41
PRCP P42785 4/20 0.38
DPP4 P27487 1/20 0.36

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
SCHEMBL1774623 1.00 HRH4 (0.48) HRH4HRH3PRCPDPP4
SCHEMBL4698011 0.90 HRH4 (0.62) HRH4HRH3
SCHEMBL1774250 0.90 HRH4 (0.62) HRH4HRH3
SCHEMBL1774533 0.86 HRH4 (0.52) HRH4HRH3PRCPDPP4
SCHEMBL1774241 0.81 HRH4 (0.52) HRH4HRH3
SCHEMBL1774181 0.80 HRH4 (0.55) HRH4HRH3
SCHEMBL1773904 0.80 HRH4 (0.50) HRH4HRH3DPP4
SCHEMBL1773675 0.80 HRH4 (0.63) HRH4HRH3
SCHEMBL1775039 0.80 HRH4 (0.63) HRH4HRH3
SCHEMBL1773879 0.79 HRH4 (0.46) 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 187/4885PRCP 2742/4885

“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.