SCHEMBL13404528

SCHEMBL13404528

CC(=O)Oc1cc2c(Nc3ccccc3)ncnc2cc1OCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 13/20 0.71
▸ KDR P35968 4/20 0.60
▸ RET P07949 3/20 0.60
▸ LCK P06239 1/20 0.59
▸ ERBB2 P04626 3/20 0.57
▸ ERBB4 Q15303 2/20 0.57
▸ AURKB Q96GD4 3/20 0.54
▸ AURKA O14965 2/20 0.54
▸ MAPK14 Q16539 1/20 0.53
▸ IRAK4 Q9NWZ3 2/20 0.52
▸ GAK O14976 1/20 0.52
▸ RIPK2 O43353 1/20 0.52
▸ STK10 O94804 1/20 0.52
▸ FLT3 P36888 1/20 0.52
▸ JAK3 P52333 1/20 0.52
▸ AAK1 Q2M2I8 1/20 0.52
▸ Q6ZSR9 Q6ZSR9 1/20 0.52
▸ SLK Q9H2G2 1/20 0.52
▸ RPS6KA6 Q9UK32 1/20 0.52
▸ ALK Q9UM73 1/20 0.52

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
SCHEMBL8809158 0.93 EGFR (0.67) EGFRKDRRETERBB2ERBB4
SCHEMBL17836949 0.92 EGFR (0.70) EGFRKDRRETLCKAURKB
SCHEMBL5240218 0.88 EGFR (0.79) EGFRKDRRETLCKAURKB
SCHEMBL4230302 0.87 EGFR (0.67) EGFRKDRERBB2AURKBAURKA
SCHEMBL1467608 0.85 EGFR (0.69) EGFRKDRRETERBB2ERBB4
SCHEMBL30891782 0.85 EGFR (0.83) EGFRKDRRETLCKERBB2
Hydrochloric Acid SCHEMBL7453718 0.85 EGFR (0.68) EGFRKDRRETLCKERBB2
SCHEMBL6686765 0.83 EGFR (0.79) EGFRKDRRETLCKERBB2
SCHEMBL7225895 0.83 EGFR (0.49) EGFRLCKIRAK4
SCHEMBL4224921 0.82 EGFR (0.48) EGFRKDRLCKERBB2ERBB4

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 6 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

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-20130178624-A1 QUINAZOLINE DERIVATIVES NR1H2, NR1H3, NR3C2 EGFR 1731/4885KDR 2523/4885RET 1204/4885
US-20100105668-A1 Quinazoline derivatives NR1H2, NR1H3, NR3C2 EGFR 1789/4885KDR 2393/4885RET 1283/4885
US-20160207938-A1 QUINAZOLINE DERIVATIVES NR1H2, NR1H3, NR3C2 EGFR 1503/4885KDR 2189/4885RET 1047/4885

“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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