SCHEMBL3181837

SCHEMBL3181837

COc1cc2ncnc(Nc3cc(Cl)c(F)cc3C[CH]CCCCOC(C)=O)c2cc1OC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 12/20 0.52
▸ KDR P35968 10/20 0.48
▸ FLT1 P17948 2/20 0.48
▸ FGFR1 P11362 1/20 0.48
▸ FGFR2 P21802 1/20 0.48
▸ FGFR4 P22455 1/20 0.48
▸ FGFR3 P22607 1/20 0.48
▸ FLT4 P35916 1/20 0.48
▸ HDAC3 O15379 6/20 0.48
▸ HDAC4 P56524 6/20 0.48
▸ HDAC1 Q13547 6/20 0.48
▸ HDAC7 Q8WUI4 6/20 0.48
▸ HDAC2 Q92769 6/20 0.48
▸ HDAC10 Q969S8 6/20 0.48
▸ HDAC11 Q96DB2 6/20 0.48
▸ HDAC8 Q9BY41 6/20 0.48
▸ HDAC6 Q9UBN7 6/20 0.48
▸ HDAC9 Q9UKV0 6/20 0.48
▸ HDAC5 Q9UQL6 6/20 0.48
▸ ERBB2 P04626 5/20 0.48

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
SCHEMBL535152 0.88 KDR (0.54) EGFRKDRFLT1FGFR1FLT4
SCHEMBL535751 0.85 HDAC3 (0.48) EGFRKDRHDAC3HDAC4HDAC1
SCHEMBL535300 0.83 KDR (0.47) EGFRKDRFLT1FGFR1HDAC3
SCHEMBL535127 0.80 EGFR (0.66) EGFRKDRFLT1FGFR1FGFR2
SCHEMBL535675 0.79 KDR (0.48) EGFRKDRHDAC3HDAC4HDAC1
SCHEMBL6046871 0.79 EGFR (0.62) EGFRKDRFLT1FGFR1FLT4
SCHEMBL16016555 0.79 EGFR (0.56) EGFRKDRFLT1FGFR1FLT4
SCHEMBL13310053 0.79 EGFR (0.56) EGFRKDRFLT1FGFR1FLT4
SCHEMBL535716 0.77 KDR (0.48) EGFRKDRHDAC3HDAC4HDAC1
SCHEMBL18978840 0.76 EGFR (0.78) EGFRKDRFLT4HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160207938-A1 QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2016-07-21 — — US disclosed
US-9273013-B2 Quinazoline derivatives JANSSEN PHARMACEUTICA NV (BE) 2016-03-01 — — US disclosed
US-20130178624-A1 QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2013-07-11 — — US disclosed
US-8394786-B2 Quinazoline derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2013-03-12 — — US disclosed
US-20100105668-A1 Quinazoline derivatives FREYNE EDDY JEAN EDGARD 2010-04-29 — — US disclosed
US-7648975-B2 Macrocyclic quinazoline derivatives as antiproliferative agents JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-19 — — US disclosed
US-20060247237-A1 Macrocyclic quinazoline derivatives as antiproliferative agents JANSSEN PHARMACEUTICA N.V. (BE) 2006-11-02 — — US disclosed
EP-1633365-A1 MACROCYCLIC QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-15 — — EP disclosed
WO-2004105765-A1 MACROCYCLIC QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2004-12-09 — — 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 (4 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-20130178624-A1 QUINAZOLINE DERIVATIVES NR1H2, NR1H3, NR3C2 EGFR 1731/4885KDR 2523/4885FLT1 4211/4885
US-20060247237-A1 Macrocyclic quinazoline derivatives as antiproliferative agents NR1H3, NR1H2, NCOA3 EGFR 684/4885KDR 1609/4885FLT1 3387/4885
US-20100105668-A1 Quinazoline derivatives NR1H2, NR1H3, NR3C2 EGFR 1789/4885KDR 2393/4885FLT1 4229/4885
US-20160207938-A1 QUINAZOLINE DERIVATIVES NR1H2, NR1H3, NR3C2 EGFR 1503/4885KDR 2189/4885FLT1 3793/4885

“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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