SCHEMBL161445

SCHEMBL161445

Oc1nc(C(F)(F)c2ccc(F)cn2)nc2cc(F)ccc12

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ACVR1 Q04771 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
MPO P05164 1/20 0.32
ACHE P22303 1/20 0.30
GRM5 P41594 1/20 0.30

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
SCHEMBL161346 0.90 CYP3A4 (0.33) KDM4EACVR1CLK4GRM5
SCHEMBL161307 0.90 NT5E (0.32)
SCHEMBL161614 0.90 GRM2 (0.36) KDM4E
SCHEMBL162268 0.87 PTGS2 (0.34)
SCHEMBL161223 0.86 CCNE2 (0.36)
SCHEMBL160949 0.84 TRPV4 (0.33) ACVR1CLK4ACHEGRM5
SCHEMBL164201 0.81 GRM5 (0.31) MPOGRM5
SCHEMBL175933 0.76 ADORA2A (0.38)
SCHEMBL163623 0.74 NR1H2 (0.35) KDM4ECLK4
SCHEMBL161959 0.74 NT5E (0.32)

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 KDM4E 1840/4885ACVR1 3994/4885CLK4 269/4885

“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.