SCHEMBL4929414

SCHEMBL4929414

COCCOc1cc2ncc3c(N)ncnc3c2cc1OC

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 8/20 0.58
GAK O14976 1/20 0.47
EGFR P00533 1/20 0.47
PDE5A O76074 1/20 0.47
KDR P35968 6/20 0.46
ENPP1 P22413 1/20 0.45
FGFR1 P11362 1/20 0.45
FLT1 P17948 1/20 0.45
FBP1 P09467 1/20 0.45
KDM1A O60341 1/20 0.45

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
SCHEMBL24355412 0.87 GAK (0.56) PDPK1GAKEGFRKDRENPP1
SCHEMBL4417599 0.83 GAK (0.53) PDPK1GAKEGFRKDRENPP1
SCHEMBL4420286 0.83 GAK (0.53) PDPK1GAKEGFRKDRENPP1
SCHEMBL2221126 0.82 KDM1A (0.57) PDPK1GAKEGFRKDRKDM1A
SCHEMBL29736163 0.82 KDM1A (0.57) PDPK1GAKEGFRKDRKDM1A
SCHEMBL4747754 0.80 PDPK1 (0.68) PDPK1KDRFLT1
SCHEMBL20285420 0.78 KDM1A (0.54) GAKEGFRKDRKDM1A
SCHEMBL4747109 0.77 PDPK1 (0.70) PDPK1
SCHEMBL4741555 0.77 PDPK1 (0.73) PDPK1
SCHEMBL4745738 0.76 PDPK1 (0.61) PDPK1KDM1A

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 1 patent. 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 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 6/4885GAK 26/4885EGFR 3514/4885

“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.