SCHEMBL4747140

SCHEMBL4747140

COCCOc1cc2nc(Cc3ccccc3)c3c(N)nc(N)nc3c2cc1OC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 6/20 0.43
ABCB1 P08183 1/20 0.42
TYK2 P29597 1/20 0.41
ATM Q13315 1/20 0.41
NEK9 Q8TD19 1/20 0.41
NEK6 Q9HC98 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
TLR7 Q9NYK1 1/20 0.40
PDGFRB P09619 1/20 0.40
KIT P10721 1/20 0.40
PDGFRA P16234 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDR P35968 1/20 0.39

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
SCHEMBL4744181 0.86 PDPK1 (0.46) PDPK1TYK2ATMNEK9NEK6
SCHEMBL4747764 0.77 PDPK1 (0.42) PDPK1TYK2ATMNEK9NEK6
SCHEMBL4747807 0.76 PDPK1 (0.44) PDPK1TYK2ATMNEK9NEK6
SCHEMBL4745763 0.74 SPIN1 (0.44) PDPK1PDE3BPDE3A
SCHEMBL4747760 0.72 PDPK1 (0.56) PDPK1TLR7PDGFRBPDGFRAKDM4E
SCHEMBL30017474 0.71 PDPK1 (0.46) PDPK1ABCB1ATMTLR7PDGFRB
SCHEMBL7941513 0.70 TLR7 (0.56) TLR7
SCHEMBL24355432 0.68 PDPK1 (0.57) PDPK1ABCB1MAPT
SCHEMBL29756065 0.68 PDPK1 (0.57) PDPK1ABCB1MAPT
SCHEMBL27355403 0.67 PDE5A (0.49)

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 6/4885ABCB1 2410/4885TYK2 160/4885

“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.