SCHEMBL4422271

SCHEMBL4422271

COc1cc2c(Oc3ccc(F)cc3Br)ncnc2cc1NCCCn1ccnc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 10/20 0.46
TRPA1 O75762 1/20 0.45
CYP19A1 P11511 1/20 0.44
KDR P35968 2/20 0.43
FGFR1 P11362 1/20 0.43
FLT1 P17948 1/20 0.43
EGFR P00533 4/20 0.42
TP53 P04637 1/20 0.41
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL5499555 0.83 TRPA1 (0.52) TRPA1KDRFGFR1FLT1EGFR
SCHEMBL5497624 0.82 KDM4E (0.56) TRPA1KDRFGFR1FLT1EGFR
SCHEMBL4421990 0.81 TRPA1 (0.56) TRPA1KDRFGFR1FLT1EGFR
SCHEMBL4418263 0.79 QPCT (0.50) QPCTCYP19A1KDRFGFR1FLT1
SCHEMBL4419758 0.71 TRPA1 (0.62) TRPA1KDREGFR
SCHEMBL6781231 0.71 GAA (0.45) QPCTCYP19A1EGFRTP53ALDH1A1
SCHEMBL4419720 0.70 EGFR (0.48) TRPA1KDRFLT1EGFR
SCHEMBL4420738 0.70 KDR (0.66) TRPA1KDRFGFR1FLT1EGFR
SCHEMBL4424729 0.69 TRPA1 (0.57) TRPA1KDRFLT1EGFR
SCHEMBL4419529 0.69 KDR (0.60) TRPA1KDRFGFR1FLT1EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7498335-B2 Method of producing an antiangiogenic or vascular permeability reducing effect ASTRAZENECA AB (CH) 2009-03-03 US disclosed
EP-1218353-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA UK LTD (GB) 2007-10-17 EP disclosed
EP-1272185-B1 USE OF QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2005-07-27 EP disclosed
US-6806274-B1 IMMUNOREGULATION OR IMMUNOSUPPRESSIVE AGENTS; TYROSINE KINASE INHIBITORS; PREVENTING ORGAN TRANSPLANT REJECTION; AUTOIMMUNE CONDITIONS; REDUCED SIDE EFFECTS ASTRAZENECA UK LIMITED (GB) 2004-10-19 US disclosed
US-20030225111-A1 Therapy ASTRAZENECA AB (SE) 2003-12-04 US disclosed
EP-1272185-A2 USE OF QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AstraZeneca AB (SE) 2003-01-08 EP disclosed
WO-2001066099-A2 USE OF QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2001-09-13 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 (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-20030225111-A1 Therapy VEGFA, AQP1, FLT1 QPCT 44/4885TRPA1 2378/4885CYP19A1 1384/4885

“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.