SCHEMBL4745705

SCHEMBL4745705

COCCOc1cc2ncc3c(N)nc(N4CCC[C@@H]4COC)nc3c2cc1OC

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 12/20 0.54
ADRA1D P25100 4/20 0.41
ADRA1B P35368 4/20 0.41
ADRA1A P35348 3/20 0.41
CFD P00746 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
SCHEMBL4744364 1.00 PDPK1 (0.54) PDPK1ADRA1DADRA1BADRA1ACFD
SCHEMBL4894801 0.85 PDPK1 (0.70) PDPK1
SCHEMBL4747109 0.83 PDPK1 (0.70) PDPK1
SCHEMBL4745738 0.81 PDPK1 (0.61) PDPK1
SCHEMBL4888660 0.80 PDPK1 (0.56) PDPK1ADRA1DADRA1BADRA1A
SCHEMBL4744086 0.80 PDPK1 (0.68) PDPK1ADRA1DADRA1BADRA1A
SCHEMBL4743599 0.79 PDPK1 (0.56) PDPK1
SCHEMBL4747105 0.79 PDPK1 (0.59) PDPK1
SCHEMBL4743663 0.79 PDPK1 (0.61) PDPK1ADRA1DADRA1BADRA1A
SCHEMBL4747812 0.79 PDPK1 (0.56) PDPK1

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
US-20080234300-A1 Pyrimido[5,4-c] Quinoline-2, 4-Diamine Derivatives and Methods of Use Thereof WYETH (US) 2008-09-25 US claimed
US-20080234300-A1 Pyrimido[5,4-c] Quinoline-2, 4-Diamine Derivatives and Methods of Use Thereof WYETH (US) 2008-09-25 US disclosed
WO-2008109599-A1 PYRIMIDO [5,4-C] QUINOLINE-2, 4-DIAMINE DERIVATIVES AND METHODS OF USE THEREOF WYETH (US) 2008-09-12 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-20080234300-A1 Pyrimido[5,4-c] Quinoline-2, 4-Diamine Derivatives and Methods of Use Thereof DCK, PDK4, PDK2 PDPK1 6/4885ADRA1D 1161/4885ADRA1B 1911/4885

“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.