SCHEMBL4431344

SCHEMBL4431344

CN1CCN(CCOc2ccc3c(N)ncnc3c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MAP4K4 O95819 3/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
DRD3 P35462 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
LTA4H P09960 1/20 0.46
AURKA O14965 3/20 0.46
PRKDC P78527 1/20 0.45
AURKB Q96GD4 2/20 0.45
TGFBR1 P36897 1/20 0.44
P2RY12 Q9H244 1/20 0.44
XDH P47989 1/20 0.42

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 0.94 HRH3 (0.54) SIGMAR1MAP4K4ALDH1A1DRD3HRH3
SCHEMBL4416516 0.90 MAP4K4 (0.57) SIGMAR1MAP4K4KDM4EHRH3LTA4H
SCHEMBL31298956 0.90 MAP4K4 (0.57) SIGMAR1MAP4K4KDM4EHRH3LTA4H
SCHEMBL4424443 0.89 MAP4K4 (0.56) SIGMAR1MAP4K4HRH3LTA4H
SCHEMBL4690065 0.86 KDM4E (0.54) MEN1KMT2AMAP4K4KDM4EALDH1A1
SCHEMBL31469369 0.85 MEN1 (0.54) SIGMAR1MEN1KMT2AKDM4EALDH1A1
SCHEMBL30486269 0.84 MAP4K4 (0.51) SIGMAR1MAP4K4KDM4EHRH3AURKA
SCHEMBL4416637 0.84 MAP4K4 (0.51) SIGMAR1MAP4K4KDM4EHRH3AURKA
SCHEMBL31103176 0.82 TGFBR1 (0.51) SIGMAR1MEN1KMT2AKDM4EALDH1A1
SCHEMBL4420110 0.81 HPGD (0.44) SIGMAR1MAP4K4DRD3HRH3AURKA

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-1272185-A2 USE OF QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AstraZeneca AB (SE) 2003-01-08 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

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 SIGMAR1 700/4885MEN1 1359/4885KMT2A 2227/4885

“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.