SCHEMBL1775730

SCHEMBL1775730

Nc1nc(NCc2cccc(F)c2)cc(N2CC(CNC(=O)O)C2)n1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 13/20 0.67
PIK3CB P42338 1/20 0.48
VCP P55072 1/20 0.47
HRH3 Q9Y5N1 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.42
KDM5A P29375 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
APP P05067 1/20 0.42
ROCK1 Q13464 1/20 0.40
CCNT1 O60563 1/20 0.40

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
SCHEMBL1774807 0.86 HRH4 (0.52) HRH4PIK3CBVCPSMN1; SMN2APP
SCHEMBL18601592 0.85 KDM5A (0.48) HRH4PIK3CBVCPSMN1; SMN2KDM5A
SCHEMBL18636741 0.84 HRH4 (0.80) HRH4PIK3CBHRH3SMN1; SMN2APP
SCHEMBL1775731 0.83 HRH4 (0.69) HRH4PIK3CBVCPHRH3SMN1; SMN2
SCHEMBL4392707 0.83 HRH4 (0.64) HRH4PIK3CBHRH3
SCHEMBL12605054 0.80 HRH4 (1.00) HRH4PIK3CBHRH3
SCHEMBL1775871 0.80 HRH4 (0.57) HRH4PIK3CBVCPHRH3
SCHEMBL1775492 0.79 HRH4 (0.76) HRH4PIK3CBHRH3
SCHEMBL1775493 0.79 HRH4 (0.76) HRH4PIK3CBHRH3
SCHEMBL1775312 0.78 HRH4 (0.53) HRH4HRH3APP

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 184/4885PIK3CB 1970/4885VCP 4285/4885

“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.