SCHEMBL4416637

SCHEMBL4416637

Nc1ncnc2cc(OCCCN3CCCC3)ccc12

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.51
HRH3 Q9Y5N1 6/20 0.50
AURKA O14965 4/20 0.50
AURKB Q96GD4 4/20 0.50
SIGMAR1 Q99720 3/20 0.49
ACHE P22303 2/20 0.48
BCHE P06276 1/20 0.48
MAOB P27338 1/20 0.48
TLR9 Q9NR96 1/20 0.47
TLR7 Q9NYK1 1/20 0.47
XDH P47989 1/20 0.47
KDM4E B2RXH2 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL30486269 1.00 MAP4K4 (0.51) MAP4K4HRH3AURKAAURKBSIGMAR1
SCHEMBL29984833 0.94 HRH3 (0.55) HRH3SIGMAR1
SCHEMBL4416516 0.94 MAP4K4 (0.57) MAP4K4HRH3SIGMAR1KDM4E
SCHEMBL31298956 0.94 MAP4K4 (0.57) MAP4K4HRH3SIGMAR1KDM4E
SCHEMBL4424443 0.92 MAP4K4 (0.56) MAP4K4HRH3SIGMAR1MAOB
SCHEMBL4425324 0.90 HRH3 (0.54) MAP4K4HRH3AURKAAURKBSIGMAR1
SCHEMBL30783040 0.89 SRC (0.55) HRH3AURKAAURKBSIGMAR1
SCHEMBL4429202 0.89 SRC (0.55) HRH3AURKAAURKBSIGMAR1
SCHEMBL4420110 0.87 HPGD (0.44) MAP4K4HRH3AURKAAURKBSIGMAR1
SCHEMBL4431344 0.84 SIGMAR1 (0.50) MAP4K4HRH3AURKAAURKBSIGMAR1

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 5 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

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 MAP4K4 3090/4885HRH3 587/4885AURKA 1857/4885

“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.