SCHEMBL3275698

SCHEMBL3275698

COc1cc(OC2CCN(C)CC2)c2c(=O)[nH]cnc2c1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SRC P12931 8/20 0.51
EGFR P00533 4/20 0.48
KDR P35968 4/20 0.47
BRD4 O60885 3/20 0.39
LRRK2 Q5S007 1/20 0.38
IL17A Q16552 1/20 0.38
NEK2 P51955 1/20 0.37
PLK1 P53350 1/20 0.37

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
SCHEMBL3282936 0.88 ALDH1A1 (0.41) SRCEGFRBRD4IL17A
SCHEMBL1015994 0.85 EGFR (0.48) SRCEGFRKDRLRRK2
SCHEMBL4298039 0.84 BRD4 (0.42) SRCEGFRKDRBRD4IL17A
SCHEMBL3278994 0.84 IP6K1 (0.47) SRCEGFRKDRBRD4NEK2
SCHEMBL3282183 0.83 PDE4B (0.46) EGFR
SCHEMBL21474547 0.82 ERBB2 (0.47) SRCEGFRKDRBRD4IL17A
SCHEMBL4033839 0.81 EGFR (0.49) SRCEGFRKDRLRRK2
SCHEMBL16747791 0.81 SRC (0.52) SRCEGFRKDR
SCHEMBL4027494 0.80 PARP1 (0.48) SRCEGFRKDRLRRK2
SCHEMBL16747788 0.80 KDR (0.40) SRCEGFRKDRBRD4IL17A

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 26 patents — showing the first 20. 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
EP-1463506-B1 SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF AURORA KINASES ASTRAZENECA AB (SE) 2009-10-21 EP disclosed
US-20090215770-A1 Substituted Quinazoline Derivatives as Inhibitors of Aurora Kinases ASTRAZENECA AB (SE) 2009-08-27 US disclosed
EP-1444211-B1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2009-01-21 EP disclosed
US-7402585-B2 Substituted quinazoline derivatives as inhibitors of aurora kinases ASTRAZENECA AB (SE) 2008-07-22 US disclosed
US-20070088044-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-19 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-1463506-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF AURORA KINASES Astrazeneca AB (SE) 2004-10-06 EP disclosed
EP-1450808-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF T CELL MEDIATED DISEASES Astrazeneca AB (SE) 2004-09-01 EP disclosed
EP-1292594-B1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF TUMOURS ASTRAZENECA AB (SE) 2004-09-01 EP disclosed
EP-1444211-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP disclosed
WO-2003055491-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF AURORA KINASES ASTRAZENECA AB (SE) 2003-07-10 WO disclosed
WO-2003045395-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF T CELL MEDIATED DISEASES ASTRAZENECA AB (SE) 2003-06-05 WO disclosed
WO-2003040109-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 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-20070088044-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 SRC 39/4885EGFR 2/4885KDR 33/4885
US-20060258642-A1 Quinazoline derivatives for the treatment of tumours TPD52L2, NQO2, H1-5 SRC 1986/4885EGFR 1723/4885KDR 2002/4885
US-20090215770-A1 Substituted Quinazoline Derivatives as Inhibitors of Aurora Kinases AURKC, AURKA, AURKB SRC 754/4885EGFR 920/4885KDR 960/4885
US-20100280042-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF TUMOURS TPD52L2, NQO2, H1-5 SRC 1986/4885EGFR 1723/4885KDR 2002/4885

“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.