SCHEMBL161422

SCHEMBL161422

Fc1ccc(C(F)(F)c2nc(Cl)c3cccc(F)c3n2)nc1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.34
XPO1 O14980 1/20 0.31
GRM2 Q14416 1/20 0.31
P2RX7 Q99572 2/20 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
SCHEMBL158446 0.90 PDE7A (0.33) P2RX7
SCHEMBL160464 0.88 ENPP3 (0.41) GRM2
SCHEMBL162608 0.88 TNKS (0.36) P2RX7
SCHEMBL162466 0.82 METAP1 (0.38)
SCHEMBL163642 0.81 GRM2 (0.36) GRM5XPO1GRM2
SCHEMBL174265 0.76 XPO1 (0.37) XPO1
SCHEMBL173868 0.73 NTRK1 (0.46)
SCHEMBL160936 0.72 ENPP3 (0.36)
SCHEMBL163623 0.72 NR1H2 (0.35)
SCHEMBL164200 0.72 TNKS (0.42) GRM5

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 GRM5 2327/4885XPO1 828/4885GRM2 1721/4885

“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.