SCHEMBL1788925

SCHEMBL1788925

COc1cc2c(Oc3ncc(NC(=O)CC(=O)Nc4ccc(F)cc4)cc3Cl)ccnc2cc1OCC1CCN(C(=O)O)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 5/20 0.57
MERTK Q12866 4/20 0.57
KDR P35968 7/20 0.49
PDGFRA P16234 4/20 0.49
MET P08581 11/20 0.49
EGFR P00533 3/20 0.48
LCK P06239 2/20 0.48
KIT P10721 2/20 0.48
TEK Q02763 2/20 0.48
AURKA O14965 1/20 0.48
RIPK2 O43353 1/20 0.48
ABCB11 O95342 1/20 0.48
ABL1 P00519 1/20 0.48
ERBB2 P04626 1/20 0.48
NTRK1 P04629 1/20 0.48
PGR P06401 1/20 0.48
LYN P07948 1/20 0.48
RET P07949 1/20 0.48
CHRM2 P08172 1/20 0.48
HCK P08631 1/20 0.48

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
SCHEMBL29693565 0.93 AXL (0.56) AXLMERTKKDRPDGFRAMET
SCHEMBL371852 0.93 AXL (0.56) AXLMERTKKDRPDGFRAMET
SCHEMBL374524 0.91 AXL (0.52) AXLMERTKKDRPDGFRAMET
SCHEMBL29693574 0.89 AXL (0.57) AXLMERTKKDRPDGFRAMET
SCHEMBL371576 0.89 AXL (0.57) AXLMERTKKDRPDGFRAMET
SCHEMBL371549 0.86 AXL (0.67) AXLMERTKKDRPDGFRAMET
SCHEMBL13787495 0.86 AXL (0.54) AXLMERTKKDRPDGFRAMET
SCHEMBL20216631 0.85 MET (0.55) AXLMERTKKDRPDGFRAMET
SCHEMBL29693452 0.84 AXL (0.69) AXLMERTKKDRPDGFRAMET
SCHEMBL371542 0.84 AXL (0.69) AXLMERTKKDRPDGFRAMET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513266-B2 Methods of treating cancer using pyridopyrimidinone inhibitors of PI3K alpha EXELIXIS, INC. (US) 2013-08-20 US disclosed
US-8481001-B2 Combination therapies comprising quinoxaline inhibitors of P13K-alpha for use in the treatment of cancer EXELIXIS, INC. (US) 2013-07-09 US disclosed
US-7999006-B2 Anticancer agents; mitogen-activated protein kinases (MEK) EXELIXIS, INC. (US) 2011-08-16 US disclosed
US-20110123434-A1 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF P13K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS, INC (US) 2011-05-26 US disclosed
US-20100209420-A1 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF P13K ALPHA EXELIXIS, INC. (US) 2010-08-19 US 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-20100209420-A1 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF P13K ALPHA TP53, PHKG1, TNNI3K AXL 3626/4885MERTK 1643/4885KDR 2390/4885
US-20110123434-A1 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF P13K-ALPHA FOR USE IN THE TREATMENT OF CANCER TP53, PHKG1, TNNI3K AXL 2611/4885MERTK 1406/4885KDR 3082/4885

“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.