SCHEMBL4603090

SCHEMBL4603090

CONC(=O)C(N)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.48
DPP8 Q6V1X1 2/20 0.48
DPP9 Q86TI2 2/20 0.48
DPP7 Q9UHL4 2/20 0.48
FAP Q12884 1/20 0.48
SLC7A5 Q01650 1/20 0.46
CXCR1 P25024 1/20 0.38
CXCR2 P25025 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
LAP3 P28838 1/20 0.33
AAK1 Q2M2I8 1/20 0.32
CA12 O43570 1/20 0.31
CA14 Q9ULX7 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL4603093 1.00 DPP4 (0.48) DPP4DPP8DPP9DPP7FAP
SCHEMBL14195862 0.83 TARS1 (0.37) DPP4DPP8DPP9DPP7FAP
SCHEMBL2142249 0.78 DPP4 (0.42) DPP4DPP8DPP9DPP7CXCR1
SCHEMBL2142253 0.78 DPP4 (0.42) DPP4DPP8DPP9DPP7CXCR1
SCHEMBL20138620 0.76 DPP4 (0.45) DPP4DPP8DPP9DPP7FAP
SCHEMBL8644281 0.76 CXCR1 (0.41) DPP4CXCR1CXCR2SMN1; SMN2CA12
SCHEMBL103443 0.76
SCHEMBL4600795 0.75 DPP4 (0.44) DPP4DPP8DPP9DPP7FAP
SCHEMBL4600799 0.75 DPP4 (0.44) DPP4DPP8DPP9DPP7FAP
SCHEMBL135982 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924568-A1 QUINAZOLINE DERIVATIVES USEFUL IN CANCER TREATMENT SCHERING CORPORATION (US) 2008-05-28 EP disclosed
EP-1915351-A1 QUINAZOLINE DERIVATIVES USEFUL IN CANCER TREATMENT SCHERING CORPORATION (US) 2008-04-30 EP disclosed
US-20070032502-A1 Quinazoline derivatives useful in cancer treatment SCHERING CORPORATION 2007-02-08 US disclosed
WO-2007011623-A1 QUINAZOLINE DERIVATIVES USEFUL IN CANCER TREATMENT SCHERING CORPORATION (US) 2007-01-25 WO disclosed
WO-2007011618-A1 QUINAZOLINE DERIVATIVES USEFUL IN CANCER TREATMENT SCHERING CORPORATION (US) 2007-01-25 WO disclosed
US-20070015774-A1 Quinazoline derivatives useful in cancer treatment SCHERING CORPORATION 2007-01-18 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 (2 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-20070015774-A1 Quinazoline derivatives useful in cancer treatment TP53, TP53BP1, ACIN1 DPP4 4094/4885DPP8 4406/4885DPP9 4501/4885
US-20070032502-A1 Quinazoline derivatives useful in cancer treatment TP53, ACIN1, TP53BP1 DPP4 4092/4885DPP8 4276/4885DPP9 4511/4885

“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.