SCHEMBL1775152

SCHEMBL1775152

Nc1nc(N)c(CC2CC2)c(N2C[C@@H]3CCCN[C@@H]3C2)n1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 11/20 0.51
HTR3A P46098 1/20 0.34
ROCK1 Q13464 1/20 0.33
PARP1 P09874 1/20 0.31
DHFR P00374 1/20 0.31

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
SCHEMBL1775069 1.00 HRH4 (0.51) HRH4HTR3AROCK1PARP1DHFR
SCHEMBL1774952 1.00 HRH4 (0.51) HRH4HTR3AROCK1PARP1DHFR
SCHEMBL1774889 0.96 HRH4 (0.50) HRH4HTR3AROCK1
SCHEMBL1775210 0.96 HRH4 (0.50) HRH4HTR3AROCK1
SCHEMBL1774130 0.87 HRH4 (0.52) HRH4HTR3AROCK1PARP1
SCHEMBL18601593 0.87 HRH4 (0.52) HRH4HTR3AROCK1PARP1
SCHEMBL604438 0.85 HRH4 (0.50) HRH4HTR3AROCK1
SCHEMBL606271 0.85 HRH4 (0.50) HRH4HTR3AROCK1
SCHEMBL1774401 0.85 HRH4 (0.50) HRH4HTR3AROCK1
SCHEMBL18601614 0.84 HRH4 (0.49) HRH4HTR3AROCK1

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 184/4885HTR3A 1577/4885ROCK1 3749/4885

“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.