SCHEMBL12369330

SCHEMBL12369330

C=C(C)OC(=O)N1CCC(Oc2cc3ncnc(Oc4ccc5[nH]c(C)cc5c4F)c3cc2OC)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.57
KDR P35968 6/20 0.57
RET P07949 3/20 0.57
ERBB2 P04626 3/20 0.57
RIPK2 O43353 2/20 0.57
MET P08581 2/20 0.57
EPHB4 P54760 2/20 0.57
BTK Q06187 2/20 0.57
PDGFRB P09619 2/20 0.57
PLK4 O00444 1/20 0.57
GAK O14976 1/20 0.57
EPHB6 O15197 1/20 0.57
ERN1 O75460 1/20 0.57
STK10 O94804 1/20 0.57
MAP4K4 O95819 1/20 0.57
CHEK2 O96017 1/20 0.57
ABL1 P00519 1/20 0.57
LCK P06239 1/20 0.57
FYN P06241 1/20 0.57
CSF1R P07333 1/20 0.57

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
SCHEMBL662774 0.90 KDR (0.57) EGFRKDRRETERBB2RIPK2
SCHEMBL665982 0.86 ERBB2 (0.63) EGFRKDRRETERBB2RIPK2
SCHEMBL10283934 0.85 KDR (0.45) EGFRKDRERBB2METTEK
SCHEMBL21885567 0.83 KDR (0.64) EGFRKDRRETERBB2RIPK2
SCHEMBL664923 0.82 KDR (0.63) EGFRKDRRETERBB2RIPK2
SCHEMBL1401691 0.82 KDR (0.63) EGFRKDRRETERBB2RIPK2
SCHEMBL1401667 0.80 KDR (0.63) EGFRKDRRETERBB2RIPK2
SCHEMBL1401690 0.80 KDR (0.59) EGFRKDRRETERBB2RIPK2
SCHEMBL15952729 0.80 KDR (0.73) EGFRKDRRETERBB2RIPK2
SCHEMBL1401697 0.80 PIK3CD (0.51) EGFRKDRRETERBB2RIPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989460-B2 potent kinase insert domain-containing receptor (KDR) inhibitors with improved selectivity and pharmacokinetics; VEGF (vascular endothelial growth factor) inhibitors; cancer and rheumatoid arthritis; e.g. 7-(2-[4-(acetylmethyl)piperazin-1-yl]ethoxy)-6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]quinazoline ASTRAZENECA AB (SE) 2011-08-02 US disclosed
US-20080058342-A1 Quinazoline Derivatives As Angiogenesis Inhibitors ASTRAZENECA AB (SE) 2008-03-06 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-20080058342-A1 Quinazoline Derivatives As Angiogenesis Inhibitors VEGFA, KDR, FLT1 EGFR 273/4885KDR 2/4885RET 980/4885

“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.