SCHEMBL3276246

SCHEMBL3276246

COc1ccc2nc[nH]c(=O)c2c1OC1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.40
PDE4D Q08499 5/20 0.39
TERT O14746 1/20 0.39
PDE4A P27815 3/20 0.38
PDE4B Q07343 3/20 0.38
PDE4C Q08493 3/20 0.38
PARP1 P09874 2/20 0.37
SYK P43405 4/20 0.37
SRC P12931 2/20 0.37
KMT2A Q03164 1/20 0.36
PDE9A O76083 1/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36

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
SCHEMBL3276941 0.87 LRRK2 (0.37) LRRK2PDE4DPDE4APDE4BPDE4C
SCHEMBL3279714 0.85 SRC (0.49) LRRK2TERTPARP1SRCKMT2A
SCHEMBL3276925 0.83 LRRK2 (0.41) LRRK2PARP1SYKPDE9A
SCHEMBL4030932 0.78 PARP1 (0.47) LRRK2PDE4DPARP1SRCPDE9A
SCHEMBL1015994 0.77 EGFR (0.48) LRRK2PDE4DSRC
SCHEMBL25987116 0.76 PARP1 (0.37) TERTPDE4APARP1SRCKMT2A
SCHEMBL14489787 0.75 SRC (0.49) PDE4DPDE4APDE4BPDE4CPARP1
SCHEMBL21886644 0.75 CLK2 (0.38) TERTPARP1SRCKMT2A
SCHEMBL24106809 0.73 ERBB2 (0.38) LRRK2TERTPARP1SRCKMT2A
SCHEMBL21886642 0.73 ERBB2 (0.46) PARP1SRCKMT2A

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100280042-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF TUMOURS HENNEQUIN LAURENT FRANCOIS ANDRE 2010-11-04 US disclosed
US-7696214-B2 Quinazoline derivatives for the treatment of tumours ASTRAZENECA AB (SE) 2010-04-13 US disclosed
US-7160891-B2 Quinazoline derivatives for the treatment of T cell mediated diseases ASTRAZENECA AB (SE) 2007-01-09 US disclosed
US-20060258642-A1 Quinazoline derivatives for the treatment of tumours ASTRAZENECA AB 2006-11-16 US disclosed
US-7049438-B2 Quinazoline derivatives for treatment of tumours ASTRAZENECA AB (SE) 2006-05-23 US disclosed
EP-1450808-B8 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF T CELL MEDIATED DISEASES ASTRAZENECA AB (SE) 2006-01-04 EP disclosed
EP-1450808-B1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF T CELL MEDIATED DISEASES ASTRAZENECA AB (SE) 2005-06-15 EP disclosed
US-20050038050-A1 Quinazoline derivatives for the treatment of t cell mediated diseases ASTRAZENECA AB (SE) 2005-02-17 US disclosed
US-20040214841-A1 Quinazoline derivatives for treatment of tumours ASTRAZENECA AB (SE) 2004-10-28 US disclosed
EP-1450808-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF T CELL MEDIATED DISEASES Astrazeneca AB (SE) 2004-09-01 EP disclosed
WO-2003045395-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF T CELL MEDIATED DISEASES ASTRAZENECA AB (SE) 2003-06-05 WO disclosed
WO-2001094341-A9 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF TUMOURS ASTRAZENECA AB (SE) 2003-04-17 WO disclosed
EP-1292594-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF TUMOURS AstraZeneca AB (SE) 2003-03-19 EP disclosed
WO-2001094341-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF TUMOURS ASTRAZENECA AB (SE) 2001-12-13 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 (4 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-20060258642-A1 Quinazoline derivatives for the treatment of tumours TPD52L2, NQO2, H1-5 LRRK2 2872/4885PDE4D 1862/4885TERT 1404/4885
US-20040214841-A1 Quinazoline derivatives for treatment of tumours NQO2, TOP1, TPD52L2 LRRK2 2863/4885PDE4D 2600/4885TERT 2415/4885
US-20050038050-A1 Quinazoline derivatives for the treatment of t cell mediated diseases CD4, HLA-DRB1, IFNG LRRK2 4174/4885PDE4D 3615/4885TERT 3018/4885
US-20100280042-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF TUMOURS TPD52L2, NQO2, H1-5 LRRK2 2872/4885PDE4D 1862/4885TERT 1404/4885

“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.