SCHEMBL174983

SCHEMBL174983

Cc1cc(Nc2nc(C(F)(F)c3ncc(F)cn3)nc3c(Cl)cccc23)n[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 9/20 0.48
GSK3B P49841 5/20 0.48
AURKB Q96GD4 6/20 0.46
PLK4 O00444 4/20 0.46
PAK4 O96013 4/20 0.46
NTRK1 P04629 4/20 0.46
JAK2 O60674 3/20 0.46
JAK3 P52333 3/20 0.46
STK10 O94804 1/20 0.46
RET P07949 1/20 0.46
FGFR1 P11362 1/20 0.46
FER P16591 1/20 0.46
CSNK2A2 P19784 1/20 0.46
JAK1 P23458 1/20 0.46
TYK2 P29597 1/20 0.46
FLT3 P36888 1/20 0.46
STAT3 P40763 1/20 0.46
STAT5A P42229 1/20 0.46
CDK3 Q00526 1/20 0.46
PTK2 Q05397 1/20 0.46

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
SCHEMBL173817 0.90 AURKA (0.46) AURKAGSK3BAURKBPLK4PAK4
SCHEMBL158164 0.84 AURKA (0.57) AURKAGSK3BAURKBNTRK1JAK2
SCHEMBL173588 0.80 AURKA (0.44) AURKAGSK3BAURKBPLK4PAK4
SCHEMBL173868 0.80 NTRK1 (0.46) AURKAAURKBPLK4PAK4NTRK1
SCHEMBL174181 0.79 AURKA (0.44) AURKAGSK3BAURKBPLK4PAK4
SCHEMBL174437 0.78 AURKA (0.43) AURKAAURKBPLK4PAK4NTRK1
SCHEMBL161721 0.78 JAK3 (0.44) AURKAGSK3BAURKBPLK4PAK4
SCHEMBL161175 0.78 AURKA (0.43) AURKAGSK3BAURKBPLK4PAK4
SCHEMBL10284745 0.78 AURKA (0.41) AURKAAURKBPLK4PAK4NTRK1
SCHEMBL173346 0.77 AURKA (0.58) AURKAGSK3BAURKBNTRK1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633207-B2 Quinazoline compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2014-01-21 US claimed
EP-2611789-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-07-10 EP claimed
WO-2012030948-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 WO claimed
US-20120053174-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION 2012-03-01 US claimed
US-8633207-B2 Quinazoline compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2014-01-21 US disclosed
US-8633207-B2 Quinazoline compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2014-01-21 US disclosed
US-8633207-B2 Quinazoline compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2014-01-21 US disclosed
EP-2611789-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-07-10 EP disclosed
WO-2012030948-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 WO disclosed
WO-2012030948-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 WO disclosed
US-20120053174-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION 2012-03-01 US disclosed
US-20120053174-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION 2012-03-01 US disclosed
US-20120053174-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION 2012-03-01 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 (1 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-20120053174-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF JAK3, JAK2, TYK2 AURKA 589/4885GSK3B 353/4885AURKB 404/4885

“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.