SCHEMBL13310063

SCHEMBL13310063

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 17/20 0.49
▸ KDR P35968 3/20 0.46
▸ ERBB2 P04626 2/20 0.45
▸ FGFR1 P11362 1/20 0.45
▸ FLT1 P17948 1/20 0.45
▸ FGFR2 P21802 1/20 0.45
▸ FGFR4 P22455 1/20 0.45
▸ FGFR3 P22607 1/20 0.45
▸ FLT4 P35916 1/20 0.45
▸ HDAC3 O15379 2/20 0.45
▸ HDAC4 P56524 2/20 0.45
▸ HDAC1 Q13547 2/20 0.45
▸ HDAC7 Q8WUI4 2/20 0.45
▸ HDAC2 Q92769 2/20 0.45
▸ HDAC10 Q969S8 2/20 0.45
▸ HDAC11 Q96DB2 2/20 0.45
▸ HDAC8 Q9BY41 2/20 0.45
▸ HDAC6 Q9UBN7 2/20 0.45
▸ HDAC9 Q9UKV0 2/20 0.45
▸ HDAC5 Q9UQL6 2/20 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
SCHEMBL16017424 1.00 EGFR (0.49) EGFRKDRERBB2FGFR1FLT1
SCHEMBL16016544 0.88 EGFR (0.57) EGFRKDRERBB2FGFR1FLT1
SCHEMBL13404537 0.85 EGFR (0.47) EGFRKDRFLT1FLT4HDAC3
SCHEMBL13310053 0.84 EGFR (0.56) EGFRKDRFGFR1FLT1FLT4
SCHEMBL16016555 0.84 EGFR (0.56) EGFRKDRFGFR1FLT1FLT4
SCHEMBL16016556 0.83 EGFR (0.64) EGFRKDRFGFR1FLT1FGFR2
SCHEMBL13310055 0.83 EGFR (0.64) EGFRKDRFGFR1FLT1FGFR2
SCHEMBL13310064 0.82 EGFR (0.57) EGFRKDRERBB2FGFR1FLT1
SCHEMBL13485465 0.81 SRC (0.49) EGFRKDR
SCHEMBL1468261 0.81 KDR (0.68) EGFRKDRFGFR1FLT1FGFR2

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-10208062-B2 Macrocyclic quinazole derivatives and their use as MTKI JANSSEN PHARMACEUTICA NV (BE) 2019-02-19 — — US disclosed
US-20170320894-A1 MACROCYCLIC QUINAZOLE DERIVATIVES AND THEIR USE AS MTKI JANSSEN PHARMACEUTICA NV (BE) 2017-11-09 — — US disclosed
US-20100152174-A1 MACROCYCLIC QUINAZOLE DERIVATIVES AND THEIR USE AS MTKI JANSSEN-CILAG (FR) 2010-06-17 — — US disclosed
US-20100152174-A1 MACROCYCLIC QUINAZOLE DERIVATIVES AND THEIR USE AS MTKI JANSSEN-CILAG (FR) 2010-06-17 — — 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 (3 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-20100152174-A1 MACROCYCLIC QUINAZOLE DERIVATIVES AND THEIR USE AS MTKI NR1I3, NR1I2, NR3C2 EGFR 2407/4885KDR 2757/4885ERBB2 938/4885
US-20170320894-A1 MACROCYCLIC QUINAZOLE DERIVATIVES AND THEIR USE AS MTKI NR1I3, NR3C2, NR1I2 EGFR 2929/4885KDR 2610/4885ERBB2 1048/4885
US-10208062-B2 Macrocyclic quinazole derivatives and their use as MTKI NR1I3, NR3C2, NR1I2 EGFR 2929/4885KDR 2610/4885ERBB2 1048/4885

“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.

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