SCHEMBL2267003

SCHEMBL2267003

Cc1cncc(CC(N)C(=O)O)c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 3/20 0.48
GRIA3 P42263 3/20 0.48
GRIA2 P42262 2/20 0.48
GRIA4 P48058 2/20 0.48
SLC7A5 Q01650 3/20 0.44
HSD17B10 Q99714 2/20 0.44
CYP3A4 P08684 2/20 0.44
USP2 O75604 2/20 0.44
PKM P14618 2/20 0.44
RGS12 O14924 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX15 P16050 1/20 0.44
NFKB1 P19838 1/20 0.44
CASP1 P29466 1/20 0.44
BRCA1 P38398 1/20 0.44
THPO P40225 1/20 0.44
CASP7 P55210 1/20 0.44
GNAI1 P63096 1/20 0.44
HIF1A Q16665 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL28741574 0.77 GRIA1 (0.48) GRIA1GRIA3GRIA2GRIA4SLC7A5
SCHEMBL13957557 0.77 GRIA1 (0.48) GRIA1GRIA3GRIA2GRIA4SLC7A5
SCHEMBL18125581 0.73 NOS3 (0.45) ALDH1A1POLBMAPTNOS3NOS1
SCHEMBL2263341 0.72 HSD17B10 (0.49) SLC7A5HSD17B10CYP3A4USP2PKM
SCHEMBL43864 0.69 NOS3 (0.59) GRIA1GRIA3GRIA2GRIA4SLC7A5
SCHEMBL29379111 0.69 NOS3 (0.59) GRIA1GRIA3GRIA2GRIA4SLC7A5
SCHEMBL43865 0.69 NOS3 (0.59) GRIA1GRIA3GRIA2GRIA4SLC7A5
SCHEMBL383453 0.69 NOS3 (0.59) GRIA1GRIA3GRIA2GRIA4SLC7A5
SCHEMBL29605249 0.69 SLC7A5 (0.52) GRIA1GRIA3GRIA2GRIA4SLC7A5
SCHEMBL22444615 0.69 SLC7A5 (0.52) GRIA1GRIA3GRIA2GRIA4SLC7A5

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-8445440-B2 Dimeric IAP inhibitors NOVARTIS AG (CH) 2013-05-21 US disclosed
EP-2539333-A1 DIMERIC IAP INHIBITORS Novartis AG (CH) 2013-01-02 EP disclosed
WO-2011104266-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2011-09-01 WO disclosed
US-20110206690-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2011-08-25 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-20110206690-A1 DIMERIC IAP INHIBITORS XIAP, BIRC5, BIRC2 GRIA1 4205/4885GRIA3 4604/4885GRIA2 4376/4885

“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.