SCHEMBL3279714

SCHEMBL3279714

COc1ccc2nc[nH]c(=O)c2c1OC1CCN(C)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.49
EGFR P00533 2/20 0.48
LRRK2 Q5S007 1/20 0.41
ERBB2 P04626 1/20 0.40
PIK3CD O00329 2/20 0.39
PIK3CA P42336 2/20 0.39
PIK3CB P42338 2/20 0.39
PIK3CG P48736 2/20 0.39
NEK2 P51955 1/20 0.37
PLK1 P53350 1/20 0.37
NFE2L2 Q16236 1/20 0.37
ABCB1 P08183 1/20 0.37
PARP1 P09874 2/20 0.36
TGFBR1 P36897 1/20 0.36
ACVR1 Q04771 1/20 0.36
NSD2 O96028 1/20 0.36
TERT O14746 1/20 0.36
IL2 P60568 1/20 0.36
MAP4K1 Q92918 1/20 0.36
KMT2A Q03164 1/20 0.35

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
SCHEMBL3276246 0.85 LRRK2 (0.40) SRCLRRK2PARP1TERTKMT2A
SCHEMBL21886642 0.83 ERBB2 (0.46) SRCEGFRERBB2NFE2L2PARP1
SCHEMBL4027494 0.80 PARP1 (0.48) SRCEGFRLRRK2ERBB2PARP1
SCHEMBL3275698 0.77 SRC (0.51) SRCEGFRLRRK2NEK2PLK1
SCHEMBL30988727 0.77 SRC (0.58) SRCEGFRERBB2PIK3CDPIK3CA
SCHEMBL3275840 0.77 SRC (0.63) SRCEGFRERBB2PIK3CDPIK3CA
SCHEMBL24106809 0.77 ERBB2 (0.38) SRCEGFRLRRK2ERBB2ABCB1
SCHEMBL25987116 0.75 PARP1 (0.37) SRCEGFRERBB2PARP1TERT
SCHEMBL21886644 0.74 CLK2 (0.38) SRCEGFRERBB2PARP1TERT
SCHEMBL29920185 0.74 ACVR1 (0.46) EGFRPARP1TGFBR1ACVR1IL2

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 SRC 1986/4885EGFR 1723/4885LRRK2 2872/4885
US-20040214841-A1 Quinazoline derivatives for treatment of tumours NQO2, TOP1, TPD52L2 SRC 1906/4885EGFR 1547/4885LRRK2 2863/4885
US-20050038050-A1 Quinazoline derivatives for the treatment of t cell mediated diseases CD4, HLA-DRB1, IFNG SRC 3241/4885EGFR 4734/4885LRRK2 4174/4885
US-20100280042-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF TUMOURS TPD52L2, NQO2, H1-5 SRC 1986/4885EGFR 1723/4885LRRK2 2872/4885

“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.