SCHEMBL162268

SCHEMBL162268

CS(=O)(=O)c1ccc2c(O)nc(C(F)(F)c3ccc(F)cn3)nc2c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.34
PTGS1 P23219 3/20 0.34
MAP4K4 O95819 1/20 0.34
PIK3CA P42336 1/20 0.34
KCNH2 Q12809 1/20 0.34
MINK1 Q8N4C8 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
CSF1R P07333 1/20 0.34
MAPK14 Q16539 3/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
TLR2 O60603 1/20 0.33
TLR1 Q15399 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
LRRK2 Q5S007 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
SCHEMBL161445 0.87 KDM4E (0.33)
SCHEMBL161614 0.85 GRM2 (0.36)
SCHEMBL161346 0.82 CYP3A4 (0.33)
SCHEMBL161307 0.82 NT5E (0.32)
SCHEMBL161223 0.79 CCNE2 (0.36) MAPK14
SCHEMBL161955 0.78 AURKA (0.47) KCNH2
SCHEMBL162604 0.78 JAK2 (0.34) PTGS2KCNH2
SCHEMBL160949 0.72 TRPV4 (0.33)
SCHEMBL164201 0.71 GRM5 (0.31)
SCHEMBL162284 0.71 KDM4E (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 PTGS2 995/4885PTGS1 1524/4885MAP4K4 120/4885

“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.