SCHEMBL13330479

SCHEMBL13330479

COc1cc2c(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)ncnc2cc1OCCCN1CCC(F)(F)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 20/20 1.00
KIT P10721 5/20 0.85
FLT3 P36888 5/20 0.85
CSF1R P07333 4/20 0.85
PLK4 O00444 1/20 0.85
GAK O14976 1/20 0.85
EPHB6 O15197 1/20 0.85
STK10 O94804 1/20 0.85
EGFR P00533 1/20 0.85
NTRK1 P04629 1/20 0.85
LCK P06239 1/20 0.85
FGFR1 P11362 1/20 0.85
SRC P12931 1/20 0.85
PDGFRA P16234 1/20 0.85
FLT1 P17948 1/20 0.85
FGFR2 P21802 1/20 0.85
FGFR4 P22455 1/20 0.85
FGFR3 P22607 1/20 0.85
AXL P30530 1/20 0.85
FLT4 P35916 1/20 0.85

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
SCHEMBL13330466 0.93 PDGFRB (1.00) PDGFRBKITFLT3CSF1RPLK4
Tandutinib SCHEMBL29393910 0.92 PDGFRB (1.00) PDGFRBKITFLT3CSF1RPLK4
Tandutinib SCHEMBL927974 0.92 PDGFRB (1.00) PDGFRBKITFLT3CSF1RPLK4
SCHEMBL13524739 0.92 PDGFRB (0.90) PDGFRBKITFLT3CSF1RPLK4
SCHEMBL13529590 0.91 PDGFRB (0.89) PDGFRBKITFLT3CSF1RPLK4
Tandutinib SCHEMBL2478362 0.91 PDGFRB (0.98) PDGFRBKITFLT3CSF1RPLK4
SCHEMBL13330482 0.91 PDGFRB (0.88) PDGFRBKITFLT3CSF1RPLK4
SCHEMBL29460355 0.91 PDGFRB (1.00) PDGFRBKITFLT3CSF1RPLK4
SCHEMBL317630 0.91 PDGFRB (1.00) PDGFRBKITFLT3CSF1RPLK4
SCHEMBL13330509 0.90 PDGFRB (1.00) PDGFRBKITFLT3CSF1RPLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150133439-A1 QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2015-05-14 US disclosed
US-20130274252-A1 QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2013-10-17 US disclosed
US-20130274252-A1 QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2013-10-17 US disclosed
US-8324205-B2 Quinazoline derivatives as kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-12-04 US disclosed
US-8324205-B2 Quinazoline derivatives as kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-12-04 US disclosed
US-20100113468-A1 QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-05-06 US disclosed
US-20100113468-A1 QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-05-06 US disclosed
US-7560461-B2 Quinazoline derivatives as kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-07-14 US disclosed
US-7560461-B2 Quinazoline derivatives as kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-07-14 US disclosed
EP-1315715-B1 QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS MILLENNIUM PHARM INC (US) 2008-07-23 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 (3 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-20150133439-A1 QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS WNK2, WNK1, WNK3 PDGFRB 10/4885KIT 495/4885FLT3 217/4885
US-20130274252-A1 QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS WNK2, WNK1, WNK3 PDGFRB 10/4885KIT 495/4885FLT3 217/4885
US-20100113468-A1 QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS WNK2, WNK1, WNK3 PDGFRB 10/4885KIT 495/4885FLT3 217/4885

“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.