SCHEMBL4602289

SCHEMBL4602289

COC(=O)[C@@H](N)CCCN(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.42
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
LTA4H P09960 1/20 0.40
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
GAA P10253 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRM3 P20309 1/20 0.35
CHRNA4 P43681 1/20 0.35
UTS2R Q9UKP6 2/20 0.35
ZDHHC7 Q9NXF8 1/20 0.34
DDAH1 O94760 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
PAOX Q6QHF9 1/20 0.33
SLC15A1 P46059 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
SCHEMBL4602287 1.00 NOS2 (0.42) NOS2NOS3NOS1LTA4HCA1
SCHEMBL4602597 0.94 LTA4H (0.39) NOS2NOS3NOS1LTA4HCA1
SCHEMBL4602594 0.94 LTA4H (0.39) NOS2NOS3NOS1LTA4HCA1
Hydrochloric Acid SCHEMBL5967458 0.93 LTA4H (0.38) NOS2NOS3NOS1LTA4HCA1
SCHEMBL2446304 0.88 LTA4H (0.41) NOS2NOS3NOS1LTA4HCA1
SCHEMBL4603026 0.88 LTA4H (0.41) NOS2NOS3NOS1LTA4HCA1
Hydrochloric Acid SCHEMBL2445583 0.86 LTA4H (0.40) LTA4HCA1CA2CHRM2CHRM4
Hydrochloric Acid SCHEMBL2445581 0.86 LTA4H (0.40) LTA4HCA1CA2CHRM2CHRM4
SCHEMBL16330498 0.83 ZDHHC7 (0.45) NOS2NOS3NOS1LTA4HCA1
SCHEMBL9383516 0.83 CA1 (0.43) LTA4HCA1CA2ZDHHC7DDAH1

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 11 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
US-20070032502-A1 Quinazoline derivatives useful in cancer treatment SCHERING CORPORATION 2007-02-08 US 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
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
US-20070015774-A1 Quinazoline derivatives useful in cancer treatment SCHERING CORPORATION 2007-01-18 US 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 NOS2 2571/4885NOS3 1034/4885NOS1 2160/4885
US-20070032502-A1 Quinazoline derivatives useful in cancer treatment TP53, ACIN1, TP53BP1 NOS2 2281/4885NOS3 898/4885NOS1 1779/4885

“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.