SCHEMBL4747764

SCHEMBL4747764

COCCOc1cc2nc(-c3ccc(Cl)cc3)c3c(N)nc(N)nc3c2cc1OC

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 11/20 0.42
FGFR1 P11362 3/20 0.41
FLT1 P17948 3/20 0.41
KDR P35968 3/20 0.41
EGFR P00533 1/20 0.41
FLT4 P35916 1/20 0.41
SRC P12931 1/20 0.39
PGK1 P00558 1/20 0.38
TYK2 P29597 1/20 0.38
ATM Q13315 1/20 0.38
NEK9 Q8TD19 1/20 0.38
NEK6 Q9HC98 1/20 0.38
DHFR P00374 1/20 0.37

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
SCHEMBL4747807 0.90 PDPK1 (0.44) PDPK1FGFR1FLT1KDREGFR
SCHEMBL4744181 0.79 PDPK1 (0.46) PDPK1TYK2ATMNEK9NEK6
SCHEMBL4747140 0.77 PDPK1 (0.43) PDPK1KDRTYK2ATMNEK9
SCHEMBL4745763 0.74 SPIN1 (0.44) PDPK1
SCHEMBL7666280 0.73 HSP90AB1 (0.58) FLT1KDREGFRPGK1DHFR
SCHEMBL30016797 0.70 PDPK1 (0.43) PDPK1FGFR1FLT1KDRSRC
SCHEMBL4746478 0.69 PDPK1 (0.52) PDPK1FGFR1FLT1KDREGFR
SCHEMBL24355432 0.68 PDPK1 (0.57) PDPK1
SCHEMBL29756065 0.68 PDPK1 (0.57) PDPK1
SCHEMBL26069539 0.65 PDPK1 (0.55) 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 6/4885FGFR1 809/4885FLT1 1276/4885

“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.