SCHEMBL163623

SCHEMBL163623

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 3/20 0.35
NR1H3 Q13133 2/20 0.35
EPHX2 P34913 1/20 0.35
MEN1 O00255 1/20 0.34
TNF P01375 1/20 0.34
CXCL8 P10145 1/20 0.34
KMT2A Q03164 1/20 0.34
PAX8 Q06710 1/20 0.34
KLF5 Q13887 1/20 0.34
AXL P30530 1/20 0.34
PARP1 P09874 1/20 0.34
GSK3A P49840 2/20 0.33
GSK3B P49841 2/20 0.33
DYRK3 O43781 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
CDK1 P06493 1/20 0.33
CDK2 P24941 1/20 0.33
FLT4 P35916 1/20 0.33
CSNK1D P48730 1/20 0.33

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
SCHEMBL158172 0.86 ADORA2A (0.41) MEN1KMT2AALDH1A1ADORA2AKDM4E
SCHEMBL160936 0.85 ENPP3 (0.36)
SCHEMBL162284 0.83 KDM4E (0.36) ALDH1A1L3MBTL1KDM4ELMNA
SCHEMBL160537 0.83 ADORA2A (0.33) TNFADORA2AADORA1
SCHEMBL162604 0.83 JAK2 (0.34) NR1H2NR1H3KCNH2ADORA2AADORA1
SCHEMBL161396 0.81 PDE10A (0.36) MEN1KMT2AALDH1A1L3MBTL1KCNH2
SCHEMBL161073 0.81 P2RX3 (0.33)
SCHEMBL161223 0.80 CCNE2 (0.36) MEN1KMT2ACDK2ALDH1A1L3MBTL1
SCHEMBL174181 0.75 AURKA (0.44) GSK3AGSK3BCDK2AURKACYP3A4
SCHEMBL161445 0.74 KDM4E (0.33) CLK4KDM4E

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 NR1H2 3176/4885NR1H3 2819/4885EPHX2 3767/4885

“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.