SCHEMBL173590

SCHEMBL173590

Cc1cc(Nc2nc(C(F)(F)c3ccc(F)cn3)nc3cc(CS(C)(=O)=O)ccc23)n[nH]1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 12/20 0.44
AURKA O14965 2/20 0.44
AURKB Q96GD4 2/20 0.44
NTRK3 Q16288 3/20 0.43
NTRK2 Q16620 3/20 0.43
PLK4 O00444 1/20 0.42
PAK4 O96013 1/20 0.42
JAK2 O60674 4/20 0.40
JAK3 P52333 4/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2C8 P10632 3/20 0.40
CYP2C9 P11712 3/20 0.40
JAK1 P23458 3/20 0.40
TYK2 P29597 3/20 0.40
CYP2C19 P33261 3/20 0.40
ADORA3 P0DMS8 2/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL174212 0.89 NTRK1 (0.46) NTRK1AURKAAURKBNTRK3NTRK2
SCHEMBL161955 0.89 AURKA (0.47) NTRK1AURKAAURKBNTRK3NTRK2
SCHEMBL173862 0.88 NTRK1 (0.52) NTRK1AURKAAURKBNTRK3NTRK2
SCHEMBL163559 0.87 AURKA (0.56) NTRK1AURKAAURKBNTRK3NTRK2
SCHEMBL10284854 0.86 AURKA (0.48) NTRK1AURKAAURKBNTRK3NTRK2
SCHEMBL160401 0.86 NTRK1 (0.53) NTRK1AURKAAURKBNTRK3NTRK2
SCHEMBL163318 0.84 NTRK1 (0.54) NTRK1AURKAAURKBNTRK3NTRK2
SCHEMBL162144 0.84 NTRK1 (0.54) NTRK1AURKAAURKBNTRK3NTRK2
SCHEMBL165657 0.83 JAK2 (0.56) NTRK1AURKAAURKBNTRK3NTRK2
SCHEMBL159058 0.82 AURKA (0.55) NTRK1AURKAAURKBNTRK3NTRK2

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-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 NTRK1 1424/4885AURKA 589/4885AURKB 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.