SCHEMBL161073

SCHEMBL161073

Oc1nc(C(F)(F)c2ccc(F)cn2)nc2c(C3CC3)cccc12

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.33
PDK2 Q15119 2/20 0.33
PDK4 Q16654 1/20 0.33
HCRTR1 O43613 1/20 0.32
PDK1 Q15118 1/20 0.31
SLC22A12 Q96S37 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
SCHEMBL161285 0.84 PDK2 (0.33) P2RX3PDK2PDK4PDK1
SCHEMBL163623 0.81 NR1H2 (0.35)
SCHEMBL160936 0.81 ENPP3 (0.36)
SCHEMBL160537 0.80 ADORA2A (0.33) SLC22A12
SCHEMBL162284 0.80 KDM4E (0.36)
SCHEMBL158172 0.80 ADORA2A (0.41)
SCHEMBL161396 0.78 PDE10A (0.36)
SCHEMBL162604 0.77 JAK2 (0.34)
SCHEMBL170810 0.76 AURKA (0.41)
SCHEMBL161223 0.76 CCNE2 (0.36)

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 P2RX3 1719/4885PDK2 267/4885PDK4 623/4885

“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.