SCHEMBL1467998

SCHEMBL1467998

COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCOCCN1CCN(C)CC1

nearest known ligand 0.90

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 18/20 0.90
FLT1 P17948 16/20 0.90
FGFR1 P11362 15/20 0.90
EGFR P00533 13/20 0.90
FLT4 P35916 12/20 0.90
AURKA O14965 2/20 0.72
PDGFRB P09619 2/20 0.72
TEK Q02763 2/20 0.72
AURKB Q96GD4 2/20 0.72
EPHB2 P29323 1/20 0.67
ERBB2 P04626 1/20 0.66

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
Hydrochloric Acid SCHEMBL1468148 0.99 KDR (0.89) KDRFLT1FGFR1EGFRFLT4
SCHEMBL7864669 0.95 KDR (1.00) KDRFLT1FGFR1EGFRFLT4
SCHEMBL1467339 0.94 FLT1 (0.90) KDRFLT1FGFR1EGFRFLT4
SCHEMBL7867152 0.94 KDR (0.98) KDRFLT1FGFR1EGFRFLT4
Hydrochloric Acid SCHEMBL1468342 0.93 FLT1 (0.89) KDRFLT1FGFR1EGFRFLT4
Hydrochloric Acid SCHEMBL7864665 0.93 KDR (1.00) KDRFLT1FGFR1EGFRFLT4
SCHEMBL1467878 0.92 KDR (1.00) KDRFLT1FGFR1EGFRFLT4
Hydrochloric Acid SCHEMBL1468298 0.91 KDR (0.98) KDRFLT1FGFR1EGFRFLT4
SCHEMBL1467348 0.89 FLT1 (1.00) KDRFLT1FGFR1EGFRFLT4
SCHEMBL1468087 0.88 FGFR1 (0.98) KDRFLT1FGFR1EGFRFLT4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE42353-E1 Quinazoline derivatives and pharmaceutical compositions containing them ASTRAZENECA UK LIMITED (GB) 2011-05-10 US claimed
US-20110071144-A1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZENECA LIMITED (GB) 2011-03-24 US claimed
JP-3438818-B2 2003-08-18 JP claimed
US-20020173646-A1 Quinazoline derivatives and pharmaceutical compositions containing them ZENECA LIMITED 2002-11-21 US claimed
EP-0929530-B1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 2002-11-20 EP claimed
US-6414148-B1 PRODUCE ANTIANGIOGENIC AND/OR VASCULAR PERMEABILITY REDUCING EFFECT IN WARM-BLOODED ANIMALS ZENECA LIMITED (GB) 2002-07-02 US claimed
JP-2001500891-A 2001-01-23 JP claimed
EP-0929530-A1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZENECA LIMITED (GB) 1999-07-21 EP claimed
WO-1998013354-A1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZENECA LIMITED (GB) 1998-04-02 WO claimed
US-RE42353-E1 Quinazoline derivatives and pharmaceutical compositions containing them ASTRAZENECA UK LIMITED (GB) 2011-05-10 US disclosed
US-20110071144-A1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZENECA LIMITED (GB) 2011-03-24 US disclosed
US-6897210-B2 Quinazoline derivatives and pharmaceutical compositions containing them ZENECA LIMITED (GB) 2005-05-24 US disclosed
US-20040242574-A1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZENECA LIMITED 2004-12-02 US disclosed
EP-0929530-B1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 2002-11-20 EP disclosed
US-6414148-B1 PRODUCE ANTIANGIOGENIC AND/OR VASCULAR PERMEABILITY REDUCING EFFECT IN WARM-BLOODED ANIMALS ZENECA LIMITED (GB) 2002-07-02 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-20040242574-A1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CNKSR1, FLT1, NR5A1 KDR 6/4885FLT1 2/4885FGFR1 177/4885
US-20020173646-A1 Quinazoline derivatives and pharmaceutical compositions containing them CNKSR1, FLT1, VEGFA KDR 4/4885FLT1 2/4885FGFR1 195/4885
US-20110071144-A1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM NR5A1, NR5A2, CNKSR1 KDR 13/4885FLT1 8/4885FGFR1 146/4885

“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.