SCHEMBL13019079

SCHEMBL13019079

Nc1nc(N)c2cc(-c3ccc(O)c(O)c3)ccc2n1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.53
PIK3CG P48736 3/20 0.51
APP P05067 1/20 0.47
DCPS Q96C86 1/20 0.46
MAP4K4 O95819 1/20 0.44

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
SCHEMBL13019084 0.81 MAP4K4 (0.64) DHFRPIK3CGDCPSMAP4K4
SCHEMBL4353706 0.78 MAP4K4 (0.61) DHFRDCPSMAP4K4
SCHEMBL4351919 0.78 DHFR (0.58) DHFRMAP4K4
SCHEMBL4755412 0.77 DCPS (0.53) DHFRDCPS
SCHEMBL13019082 0.75 DYRK1A (0.46) PIK3CGAPPMAP4K4
SCHEMBL13019080 0.75 APP (0.48) PIK3CGAPP
SCHEMBL13019078 0.75 SRC (0.67) PIK3CGAPP
SCHEMBL4362768 0.73 DHFR (0.69) DHFR
Quinazoline-2,4,6-Triamine SCHEMBL30050079 0.72 DCPS (0.57) DHFRDCPS
Quinazoline-2,4,6-Triamine SCHEMBL335027 0.72 DCPS (0.57) DHFRDCPS

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100330030-A1 Vasculostatic Agents and Methods of Use Thereof TARGEGEN, INC. (US) 2010-12-30 US disclosed
US-20100330030-A1 Vasculostatic Agents and Methods of Use Thereof TARGEGEN, INC. (US) 2010-12-30 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-20100330030-A1 Vasculostatic Agents and Methods of Use Thereof RBP1, RBP4, VCAM1 DHFR 1951/4885PIK3CG 2378/4885APP 4232/4885

“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.