SCHEMBL4425324

SCHEMBL4425324

CN1CCN(CCCOc2ccc3c(N)ncnc3c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.54
DRD3 P35462 2/20 0.54
SIGMAR1 Q99720 3/20 0.51
AURKA O14965 2/20 0.51
AURKB Q96GD4 2/20 0.51
XDH P47989 2/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
MET P08581 1/20 0.46
TGFBR1 P36897 1/20 0.45
HRH4 Q9H3N8 1/20 0.43
CXCR1 P25024 1/20 0.43
MAP4K4 O95819 1/20 0.43

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
SCHEMBL4431344 0.94 SIGMAR1 (0.50) HRH3DRD3SIGMAR1AURKAAURKB
SCHEMBL30486269 0.90 MAP4K4 (0.51) HRH3SIGMAR1AURKAAURKBXDH
SCHEMBL4416637 0.90 MAP4K4 (0.51) HRH3SIGMAR1AURKAAURKBXDH
SCHEMBL4420110 0.87 HPGD (0.44) HRH3DRD3SIGMAR1AURKAAURKB
SCHEMBL4429202 0.87 SRC (0.55) HRH3SIGMAR1AURKAAURKBUSP2
SCHEMBL30783040 0.87 SRC (0.55) HRH3SIGMAR1AURKAAURKBUSP2
SCHEMBL4505427 0.85 HRH3 (0.54) HRH3DRD3SIGMAR1AURKAAURKB
SCHEMBL29984833 0.84 HRH3 (0.55) HRH3SIGMAR1HRH4
SCHEMBL4416516 0.84 MAP4K4 (0.57) HRH3SIGMAR1MAP4K4
SCHEMBL31298956 0.84 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 10 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
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-2001066099-A2 USE OF QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2001-09-13 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 HRH3 587/4885DRD3 1260/4885SIGMAR1 700/4885

“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.