SCHEMBL174706

SCHEMBL174706

Cc1cc(Nc2nc(S(=O)(=O)c3ccc(F)cc3)nc3c2ccn3CC(=O)N(C)C)n[nH]1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 5/20 0.40
NTRK1 P04629 5/20 0.40
PAK4 O96013 2/20 0.40
AURKA O14965 3/20 0.39
AURKB Q96GD4 2/20 0.39
JAK2 O60674 4/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2C8 P10632 3/20 0.37
CYP2C9 P11712 3/20 0.37
JAK1 P23458 3/20 0.37
TYK2 P29597 3/20 0.37
CYP2C19 P33261 3/20 0.37
JAK3 P52333 3/20 0.37
ADORA3 P0DMS8 2/20 0.37
CYP1A2 P05177 1/20 0.37
SYK P43405 2/20 0.36

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
SCHEMBL174555 0.87 NTRK1 (0.44) PLK4NTRK1PAK4AURKAAURKB
SCHEMBL173551 0.86 GRIN2B (0.35)
SCHEMBL169388 0.86 NTRK1 (0.42) PLK4NTRK1PAK4AURKAAURKB
SCHEMBL173437 0.84 NTRK1 (0.42) PLK4NTRK1PAK4AURKAAURKB
SCHEMBL173471 0.83 NTRK1 (0.41) PLK4NTRK1PAK4AURKAAURKB
SCHEMBL174472 0.82 AURKA (0.44) PLK4NTRK1PAK4AURKAAURKB
SCHEMBL164462 0.80 AURKA (0.41) PLK4NTRK1PAK4AURKAAURKB
SCHEMBL174476 0.80 SYK (0.46) PLK4NTRK1PAK4AURKAAURKB
SCHEMBL165127 0.78 GRIN2B (0.41)
SCHEMBL173433 0.76 GRK6 (0.34) PLK4NTRK1PAK4AURKAAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303533-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-11-14 US claimed
EP-2611809-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-07-10 EP claimed
WO-2012030924-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 WO claimed
US-20130303533-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-11-14 US disclosed
US-20130303533-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-11-14 US disclosed
US-20130303533-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-11-14 US disclosed
EP-2611809-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-07-10 EP disclosed
WO-2012030924-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 WO disclosed
WO-2012030924-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 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 (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-20130303533-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF JAK3, JAK2, JAK1 PLK4 246/4885NTRK1 1619/4885PAK4 784/4885

“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.