SCHEMBL162604

SCHEMBL162604

CS(=O)(=O)c1cccc2c(O)nc(C(F)(F)c3ccc(F)cn3)nc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.34
JAK1 P23458 2/20 0.34
TYK2 P29597 2/20 0.34
KIT P10721 1/20 0.34
STAT3 P40763 1/20 0.34
PDE4D Q08499 1/20 0.34
KCNH2 Q12809 1/20 0.34
COMT P21964 3/20 0.33
NR1H3 Q13133 6/20 0.32
NR1H2 P55055 6/20 0.32
PTGS2 P35354 2/20 0.32
JAK3 P52333 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
BRD4 O60885 1/20 0.31
MMP2 P08253 1/20 0.31

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
SCHEMBL162284 0.83 KDM4E (0.36)
SCHEMBL163623 0.83 NR1H2 (0.35) KCNH2NR1H3NR1H2PTGS2CNR1
SCHEMBL158172 0.81 ADORA2A (0.41) PDE4DADORA2A
SCHEMBL160936 0.81 ENPP3 (0.36)
SCHEMBL161396 0.79 PDE10A (0.36) PDE4DKCNH2PTGS2BRD4
SCHEMBL160537 0.79 ADORA2A (0.33) ADORA2AADORA1
SCHEMBL174410 0.78 AURKA (0.41) JAK2JAK1TYK2KCNH2JAK3
SCHEMBL162268 0.78 PTGS2 (0.34) KCNH2PTGS2
SCHEMBL161073 0.77 P2RX3 (0.33)
SCHEMBL161223 0.75 CCNE2 (0.36) ADORA2AADORA1

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 4 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
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
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 JAK2 2/4885JAK1 4/4885TYK2 3/4885

“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.