SCHEMBL4420110

SCHEMBL4420110

Nc1ncnc2cc(OCCCN3CCS(=O)(=O)CC3)ccc12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
HRH3 Q9Y5N1 2/20 0.44
SLC6A4 P31645 1/20 0.44
AURKA O14965 11/20 0.43
AURKB Q96GD4 11/20 0.43
CHEK1 O14757 1/20 0.43
RET P07949 1/20 0.42
RAF1 P04049 1/20 0.41
BRAF P15056 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
SRC P12931 1/20 0.41
KDR P35968 1/20 0.41
DRD3 P35462 1/20 0.40
MAP4K4 O95819 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
SCHEMBL4425324 0.87 HRH3 (0.54) HPGDHRH3AURKAAURKBSIGMAR1
SCHEMBL30486269 0.87 MAP4K4 (0.51) HRH3AURKAAURKBSIGMAR1MAP4K4
SCHEMBL4416637 0.87 MAP4K4 (0.51) HRH3AURKAAURKBSIGMAR1MAP4K4
SCHEMBL4429202 0.84 SRC (0.55) HRH3AURKAAURKBCHEK1RAF1
SCHEMBL30783040 0.84 SRC (0.55) HRH3AURKAAURKBCHEK1RAF1
SCHEMBL4426235 0.84 BRAF (0.46) HPGDHRH3SLC6A4AURKAAURKB
SCHEMBL29984833 0.81 HRH3 (0.55) HRH3SIGMAR1
SCHEMBL4431344 0.81 SIGMAR1 (0.50) HRH3AURKAAURKBSIGMAR1DRD3
SCHEMBL4416516 0.81 MAP4K4 (0.57) HRH3SIGMAR1MAP4K4
SCHEMBL31298956 0.81 MAP4K4 (0.57) HRH3SIGMAR1MAP4K4

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 8 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-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 HPGD 1436/4885HRH3 587/4885SLC6A4 399/4885

“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.