SCHEMBL163370

SCHEMBL163370

CSc1nc(C(F)(F)c2ccc(F)cn2)nc2c(NS(C)(=O)=O)cccc12

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 5/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
SLC40A1 Q9NP59 4/20 0.36
KEAP1 Q14145 1/20 0.36
MAPK10 P53779 1/20 0.35
NR3C1 P04150 4/20 0.35
PGR P06401 4/20 0.35
NR3C2 P08235 4/20 0.35
AR P10275 4/20 0.35
PDE10A Q9Y233 1/20 0.34
MMP2 P08253 1/20 0.33
CKS1B P61024 1/20 0.32
SKP2 Q13309 1/20 0.32

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
SCHEMBL162750 0.85 GUCY1B2 (0.30)
SCHEMBL158566 0.84 BDKRB1 (0.36) SLC40A1NR3C1PGRNR3C2AR
SCHEMBL160097 0.80 ENPP3 (0.34)
SCHEMBL161917 0.79 RPS6KB1 (0.41)
SCHEMBL163168 0.78 AURKA (0.41)
SCHEMBL160543 0.78 SLC22A12 (0.33) PDE10A
SCHEMBL161285 0.77 PDK2 (0.33)
SCHEMBL162931 0.75 MAP4K4 (0.38)
SCHEMBL163445 0.71 MAP4K1 (0.35)
SCHEMBL164201 0.71 GRM5 (0.31)

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 GLO1 3218/4885ALOX15 3180/4885HTT 676/4885

“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.