SCHEMBL158598

SCHEMBL158598

Cc1cc(Nc2nc(C(F)(F)c3ccc(F)cn3)nc3c(N4CCOCC4=O)cccc23)n[nH]1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 9/20 0.40
JAK2 O60674 8/20 0.40
MAP4K1 Q92918 1/20 0.39
AURKA O14965 6/20 0.37
AURKB Q96GD4 5/20 0.36
LRRK2 Q5S007 1/20 0.36
SYK P43405 1/20 0.36
NTRK1 P04629 1/20 0.36
PAK4 O96013 1/20 0.35

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
SCHEMBL161175 0.80 AURKA (0.43) JAK3JAK2AURKAAURKBNTRK1
SCHEMBL173588 0.80 AURKA (0.44) JAK3JAK2AURKAAURKBNTRK1
SCHEMBL173868 0.80 NTRK1 (0.46) JAK3JAK2AURKAAURKBNTRK1
SCHEMBL163445 0.80 MAP4K1 (0.35) MAP4K1LRRK2NTRK1
SCHEMBL174181 0.79 AURKA (0.44) JAK3JAK2AURKAAURKBNTRK1
SCHEMBL174061 0.79 AURKA (0.44) JAK3JAK2AURKAAURKBSYK
SCHEMBL173817 0.79 AURKA (0.46) JAK3JAK2AURKAAURKBNTRK1
SCHEMBL174437 0.79 AURKA (0.43) JAK3JAK2AURKAAURKBNTRK1
SCHEMBL161721 0.79 JAK3 (0.44) JAK3JAK2AURKAAURKBNTRK1
SCHEMBL174410 0.78 AURKA (0.41) JAK3JAK2AURKAAURKBNTRK1

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 JAK3 1/4885JAK2 2/4885MAP4K1 75/4885

“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.