SCHEMBL16016556

SCHEMBL16016556

COC(=O)[C@H](C)N(C)Cc1cc(F)c(Cl)cc1Nc1ncnc2cc(OC)c(O)cc12

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 16/20 0.64
▸ KDR P35968 4/20 0.49
▸ FGFR1 P11362 1/20 0.47
▸ FLT1 P17948 1/20 0.47
▸ FGFR2 P21802 1/20 0.47
▸ FGFR4 P22455 1/20 0.47
▸ FGFR3 P22607 1/20 0.47
▸ FLT4 P35916 1/20 0.47
▸ RET P07949 1/20 0.46
▸ KIF5B P33176 1/20 0.46

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
SCHEMBL13310055 1.00 EGFR (0.64) EGFRKDRFGFR1FLT1FGFR2
SCHEMBL16016555 0.90 EGFR (0.56) EGFRKDRFGFR1FLT1FLT4
SCHEMBL13310053 0.90 EGFR (0.56) EGFRKDRFGFR1FLT1FLT4
SCHEMBL16016544 0.88 EGFR (0.57) EGFRKDRFGFR1FLT1FGFR2
SCHEMBL13404536 0.84 EGFR (0.54) EGFRKDRRETKIF5B
SCHEMBL16017424 0.83 EGFR (0.49) EGFRKDRFGFR1FLT1FGFR2
SCHEMBL13310063 0.83 EGFR (0.49) EGFRKDRFGFR1FLT1FGFR2
SCHEMBL13310064 0.82 EGFR (0.57) EGFRKDRFGFR1FLT1FGFR2
SCHEMBL13404542 0.81 EGFR (0.56) EGFRKDRFGFR1FLT1FLT4
SCHEMBL13485466 0.77 SRC (0.47) EGFRKDR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9688691-B2 Macrocyclic quinazole derivatives and their use as MTKI JANSSEN PHARMACEUTICA NV (BE) 2017-06-27 — — US disclosed
US-9688691-B2 Macrocyclic quinazole derivatives and their use as MTKI JANSSEN PHARMACEUTICA NV (BE) 2017-06-27 — — US disclosed
US-20140256714-A1 MACROCYCLIC QUINAZOLE DERIVATIVES AND THEIR USE AS MTKI JANSSEN PHARMACEUTICA NV (BE) 2014-09-11 — — US disclosed
US-20140256714-A1 MACROCYCLIC QUINAZOLE DERIVATIVES AND THEIR USE AS MTKI JANSSEN PHARMACEUTICA NV (BE) 2014-09-11 — — 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-20140256714-A1 MACROCYCLIC QUINAZOLE DERIVATIVES AND THEIR USE AS MTKI NR1I3, NR3C2, NR1I2 EGFR 2929/4885KDR 2610/4885FGFR1 2295/4885

“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.

Send feedback