SCHEMBL5452461

SCHEMBL5452461

COc1cc2c(Cl)c([14C]#N)cnc2cc1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.49
KDR P35968 2/20 0.49
SRC P12931 1/20 0.49
PDGFRB P09619 2/20 0.49
PDGFRA P16234 1/20 0.49
PDPK1 O15530 1/20 0.47
KDM1A O60341 1/20 0.47
IRAK1 P51617 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.46
KIT P10721 1/20 0.45
ELANE P08246 1/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
LCK P06239 1/20 0.44
MAPK1 P28482 1/20 0.43
FLT1 P17948 1/20 0.43
EPHA2 P29317 1/20 0.43
EPHB4 P54760 1/20 0.43

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
SCHEMBL19645707 0.83 PDGFRB (0.53) EGFRKDRSRCPDGFRBPDGFRA
SCHEMBL31554474 0.82 PDGFRB (0.52) EGFRKDRSRCPDGFRBPDGFRA
SCHEMBL2063193 0.82 PDGFRB (0.52) EGFRKDRSRCPDGFRBPDGFRA
SCHEMBL31554584 0.82 PDPK1 (0.54) EGFRKDRSRCPDGFRBPDGFRA
SCHEMBL15263519 0.82 SRC (0.61) EGFRKDRSRCPDGFRBPDGFRA
SCHEMBL1893875 0.82 SRC (0.61) EGFRKDRSRCPDGFRBPDGFRA
SCHEMBL12335689 0.81 PDGFRB (0.50) EGFRKDRSRCPDGFRBPDGFRA
SCHEMBL5929650 0.80 EGFR (0.53) EGFRPDGFRBPDGFRAPDPK1KDM1A
SCHEMBL2063533 0.79 IRAK1 (0.53) EGFRKDRSRCPDGFRBPDGFRA
SCHEMBL168494 0.78 PIN1 (0.49) PDGFRBPDGFRAPDPK1

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-20070208164-A1 Methods of synthesizing radiolabeled 3-cyano[14C]quinolines WYETH (US) 2007-09-06 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-20070208164-A1 Methods of synthesizing radiolabeled 3-cyano[14C]quinolines QPCT, RECQL, CBR3 EGFR 2355/4885KDR 3819/4885SRC 3839/4885

“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.