SCHEMBL174265

SCHEMBL174265

Cc1cc(Nc2nc(C(F)(F)c3ccc(F)cn3)nc3c(F)cccc23)[nH]n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 1/20 0.37
RPS6KB1 P23443 1/20 0.32
AKT1 P31749 1/20 0.32
TRPA1 O75762 2/20 0.32
JAK2 O60674 2/20 0.32
NTRK1 P04629 3/20 0.31
AURKA O14965 2/20 0.31
NTRK3 Q16288 2/20 0.31
NTRK2 Q16620 2/20 0.31
KCNH2 Q12809 2/20 0.31
LCK P06239 1/20 0.31
FYN P06241 1/20 0.31
RET P07949 1/20 0.31
IGF1R P08069 1/20 0.31
FGFR1 P11362 1/20 0.31
FLT1 P17948 1/20 0.31
LTK P29376 1/20 0.31
KDR P35968 1/20 0.31
FLT3 P36888 1/20 0.31
CSNK1A1 P48729 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
SCHEMBL173868 0.85 NTRK1 (0.46) JAK2NTRK1AURKANTRK3NTRK2
SCHEMBL173817 0.77 AURKA (0.46) JAK2NTRK1AURKARETFGFR1
SCHEMBL173588 0.77 AURKA (0.44) JAK2NTRK1AURKALCKRET
SCHEMBL174181 0.76 AURKA (0.44) JAK2NTRK1AURKALCKRET
SCHEMBL161422 0.76 GRM5 (0.34) XPO1
SCHEMBL174437 0.76 AURKA (0.43) JAK2NTRK1AURKALCKRET
SCHEMBL161721 0.76 JAK3 (0.44) JAK2NTRK1AURKALCKRET
SCHEMBL161175 0.76 AURKA (0.43) JAK2NTRK1AURKALCKRET
SCHEMBL10284745 0.75 AURKA (0.41) JAK2NTRK1AURKALCKRET
SCHEMBL173346 0.75 AURKA (0.58) JAK2NTRK1AURKANTRK3NTRK2

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 XPO1 828/4885RPS6KB1 410/4885AKT1 822/4885

“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.