SCHEMBL174061

SCHEMBL174061

CCc1cccc2c(Nc3cc(C)[nH]n3)nc(C(F)(F)c3ccc(F)cn3)nc12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AURKA O14965 7/20 0.44
AURKB Q96GD4 6/20 0.44
NTRK1 P04629 6/20 0.43
PLK4 O00444 2/20 0.42
PAK4 O96013 2/20 0.42
NTRK3 Q16288 1/20 0.42
NTRK2 Q16620 1/20 0.42
JAK2 O60674 4/20 0.41
JAK3 P52333 4/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2C8 P10632 3/20 0.41
CYP2C9 P11712 3/20 0.41
JAK1 P23458 3/20 0.41
TYK2 P29597 3/20 0.41
CYP2C19 P33261 3/20 0.41
ADORA3 P0DMS8 2/20 0.41
CYP1A2 P05177 1/20 0.41
SYK P43405 2/20 0.41

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
SCHEMBL173588 0.89 AURKA (0.44) AURKAAURKBNTRK1PLK4PAK4
SCHEMBL173868 0.89 NTRK1 (0.46) AURKAAURKBNTRK1PLK4PAK4
SCHEMBL174181 0.88 AURKA (0.44) AURKAAURKBNTRK1PLK4PAK4
SCHEMBL161721 0.87 JAK3 (0.44) AURKAAURKBNTRK1PLK4PAK4
SCHEMBL174437 0.87 AURKA (0.43) AURKAAURKBNTRK1PLK4PAK4
SCHEMBL161175 0.87 AURKA (0.43) AURKAAURKBNTRK1PLK4PAK4
SCHEMBL173817 0.87 AURKA (0.46) AURKAAURKBNTRK1PLK4PAK4
SCHEMBL10284745 0.87 AURKA (0.41) AURKAAURKBNTRK1PLK4PAK4
SCHEMBL160702 0.87 JAK2 (0.44) AURKAAURKBNTRK1NTRK3NTRK2
SCHEMBL174410 0.87 AURKA (0.41) AURKAAURKBNTRK1PLK4PAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 589/4885AURKB 404/4885NTRK1 1424/4885

“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.