SCHEMBL4380906

SCHEMBL4380906

COc1cc2c(Oc3ccc4[nH]c(C)cc4c3)ncnc2cc1OCC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 2/20 0.48
BRAF P15056 1/20 0.47
PIK3CD O00329 2/20 0.46
PIK3CA P42336 2/20 0.46
PIK3CB P42338 2/20 0.46
PIK3CG P48736 2/20 0.46
CHEK2 O96017 2/20 0.44
KDR P35968 5/20 0.44
MET P08581 3/20 0.44
TEK Q02763 3/20 0.44
AURKB Q96GD4 3/20 0.44
AURKA O14965 2/20 0.44
EGFR P00533 3/20 0.43
PDGFRA P16234 2/20 0.43
CSF1R P07333 2/20 0.43
EPHB4 P54760 2/20 0.43
PLK4 O00444 1/20 0.43
GAK O14976 1/20 0.43
EPHB6 O15197 1/20 0.43
RIPK2 O43353 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
SCHEMBL4380695 0.94 BRAF (0.47) RAF1BRAFPIK3CDPIK3CAPIK3CB
SCHEMBL665930 0.91 BRAF (0.55) RAF1BRAFPIK3CDPIK3CAPIK3CB
SCHEMBL4374447 0.90 BRAF (0.48) RAF1BRAFPIK3CDPIK3CAPIK3CB
SCHEMBL4380362 0.89 CHEK2 (0.49) PIK3CDCHEK2KDRCSF1R
SCHEMBL665336 0.88 KDR (0.48) RAF1CHEK2KDRMETTEK
SCHEMBL666523 0.87 RAF1 (0.48) RAF1BRAFPIK3CDPIK3CAPIK3CB
SCHEMBL1401690 0.87 KDR (0.59) RAF1BRAFPIK3CDPIK3CAPIK3CB
SCHEMBL666851 0.87 KDR (0.52) RAF1BRAFCHEK2KDRMET
SCHEMBL666842 0.86 KDR (0.49) RAF1CHEK2KDRMETTEK
SCHEMBL4373551 0.86 EGFR (0.56) RAF1CHEK2KDRMETTEK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492560-B2 Quinazoline derivatives as angiogenesis inhibitors ASTRAZENECA AB (SE) 2013-07-23 US disclosed
US-20120197027-A1 Quinazoline Derivatives as Angiogenesis Inhibitors STOKES ELAINE S E (GB) 2012-08-02 US disclosed
EP-2050744-A1 Quinazoline derivatives as angiogenesis inhibitors AstraZeneca AB (SE) 2009-04-22 EP disclosed
US-7074800-B1 Quinazoline derivatives as angiogenesis inhibitors ASTRAZENECA AB (SE) 2006-07-11 US disclosed
US-20060004017-A1 Quinazoline derivatives as angiogenesis inhibitors ASTRAZENECA AB 2006-01-05 US disclosed
EP-1553097-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AND INTERMEDIATES THEREFORE AstraZeneca AB (SE) 2005-07-13 EP disclosed
EP-1154774-B1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2005-06-22 EP 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 (2 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-20120197027-A1 Quinazoline Derivatives as Angiogenesis Inhibitors VEGFA, FLT1, KDR RAF1 46/4885BRAF 65/4885PIK3CD 1086/4885
US-20060004017-A1 Quinazoline derivatives as angiogenesis inhibitors FLT4, NOS3, FLT1 RAF1 997/4885BRAF 2216/4885PIK3CD 2388/4885

“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.