SCHEMBL4424010

SCHEMBL4424010

COc1cc2c(Oc3ccc(F)cc3Br)ncnc2cc1N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.46
PIK3CD O00329 2/20 0.45
PIK3CA P42336 2/20 0.45
PIK3CB P42338 2/20 0.45
PIK3CG P48736 2/20 0.45
PDGFRB P09619 4/20 0.44
CCNT1 O60563 1/20 0.43
CDK9 P50750 1/20 0.43
PDGFRA P16234 2/20 0.42
KDR P35968 3/20 0.41
EGFR P00533 1/20 0.41
TLR9 Q9NR96 3/20 0.41
TLR7 Q9NYK1 2/20 0.41
MET P08581 1/20 0.41
EPHA2 P29317 1/20 0.41
EPHB4 P54760 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL5499552 0.85 TRPA1 (0.54) TRPA1PDGFRBPDGFRAKDREGFR
SCHEMBL5827776 0.84 PIK3CD (0.49) TRPA1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4421964 0.78 MAP4K4 (0.56) PIK3CDPIK3CAPIK3CBPIK3CGPDGFRB
SCHEMBL21415489 0.77 ACHE (0.61) PDGFRBPDGFRATLR9KITFLT3
SCHEMBL19704908 0.75 KIT (0.45) CCNT1CDK9LMNAKIT
SCHEMBL15703554 0.75 CCNT1 (0.49) CCNT1CDK9TLR9ALDH1A1LMNA
SCHEMBL4419758 0.74 TRPA1 (0.62) TRPA1KDREGFRMETBRAF
SCHEMBL4424729 0.74 TRPA1 (0.57) TRPA1PDGFRBPDGFRAKDREGFR
SCHEMBL4431166 0.74 TRPA1 (0.63) TRPA1PDGFRBPDGFRAKDREGFR
SCHEMBL5914044 0.74 MAPT (0.48) ALDH1A1LMNAMAPTHPGDHTT

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-7498335-B2 Method of producing an antiangiogenic or vascular permeability reducing effect ASTRAZENECA AB (CH) 2009-03-03 US 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-1218353-A1 QUINAZOLINE DERIVATIVES AstraZeneca UK Limited (GB) 2002-07-03 EP disclosed
WO-2002002534-A1 QUINAZOLINES WITH THERAPEUTIC USE ASTRAZENECA AB (SE) 2002-01-10 WO disclosed
WO-2001004102-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA UK LIMITED (GB) 2001-01-18 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 TRPA1 2378/4885PIK3CD 4165/4885PIK3CA 3833/4885

“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.