SCHEMBL1774807

SCHEMBL1774807

COc1cccc(CNc2cc(N3CC(CNC(=O)O)C3)nc(N)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 10/20 0.52
VCP P55072 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
PIK3CB P42338 1/20 0.46
APP P05067 1/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
ROCK1 Q13464 2/20 0.43

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
SCHEMBL1775730 0.86 HRH4 (0.67) HRH4VCPPIK3CBAPPSMN1; SMN2
SCHEMBL18636771 0.85 HRH4 (0.60) HRH4PIK3CBAPP
SCHEMBL1774809 0.84 HRH4 (0.54) HRH4VCPPIK3CBAPPALDH1A1
SCHEMBL12605060 0.82 HRH4 (0.74) HRH4PIK3CBAPP
SCHEMBL4392707 0.81 HRH4 (0.64) HRH4PIK3CB
SCHEMBL12604976 0.79 HRH4 (0.50) HRH4VCPPIK3CBAPPALDH1A1
SCHEMBL1775871 0.77 HRH4 (0.57) HRH4VCPPIK3CB
SCHEMBL1776133 0.77 HRH4 (0.64) HRH4
SCHEMBL1775312 0.76 HRH4 (0.53) HRH4APP
SCHEMBL1774215 0.76 HRH4 (0.53) HRH4PIK3CB

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 184/4885VCP 4285/4885L3MBTL1 1070/4885

“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.