SCHEMBL5049586

SCHEMBL5049586

COc1cc(C#N)c(/N=C/N(C)C)cc1OC[C@H]1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 4/20 0.39
ALOX5AP P20292 3/20 0.38
FEN1 P39748 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.35
NSD2 O96028 2/20 0.35
EHMT2 Q96KQ7 1/20 0.35
DPP4 P27487 1/20 0.34
UCHL1 P09936 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
USP30 Q70CQ3 2/20 0.34
GPR119 Q8TDV5 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
SCHEMBL4288363 0.90 CHRNB4 (0.37) IRAK4DPP4CHRNB4CHRNA3
SCHEMBL4288369 0.90 CHRNB4 (0.37) IRAK4DPP4CHRNB4CHRNA3
SCHEMBL5048849 0.85 GPR119 (0.42) NSD2EHMT2GPR119
SCHEMBL5048852 0.85 GPR119 (0.42) NSD2EHMT2GPR119
SCHEMBL4291327 0.81 CHRNB4 (0.35) EHMT2CHRNB4CHRNA3
SCHEMBL5025175 0.76 ABCB1 (0.47) NSD2EHMT2
SCHEMBL5025172 0.76 ABCB1 (0.47) NSD2EHMT2
SCHEMBL16760543 0.76 ABL1 (0.38)
SCHEMBL20709081 0.75 GPR119 (0.38) NSD2EHMT2GPR119
SCHEMBL30727149 0.75 GPR119 (0.38) NSD2EHMT2GPR119

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7402585-B2 Substituted quinazoline derivatives as inhibitors of aurora kinases ASTRAZENECA AB (SE) 2008-07-22 US disclosed
US-20050070561-A1 Substituted quinazoline derivatives as inhibitors of aurora kinases ASTRAZENECA AB (SE) 2005-03-31 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-20050070561-A1 Substituted quinazoline derivatives as inhibitors of aurora kinases AURKC, AURKA, AURKB F2RL3 4780/4885ALOX5AP 4850/4885FEN1 1427/4885

“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.