SCHEMBL5023988

SCHEMBL5023988

O=C(O)CC1=C2CC=CC=C2N(CCNCc2ccc(Nc3nc4ccccc4[nH]3)cc2)C(=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.47
ITGAV P06756 11/20 0.47
AKR1C3 P42330 1/20 0.36
DDX3X O00571 1/20 0.35
HSD17B10 Q99714 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
PLK4 O00444 1/20 0.33
AURKA O14965 1/20 0.33
ROCK2 O75116 1/20 0.33
MAP4K4 O95819 1/20 0.33
CHEK2 O96017 1/20 0.33
PIM1 P11309 1/20 0.33
AXL P30530 1/20 0.33
FLT4 P35916 1/20 0.33
FLT3 P36888 1/20 0.33
CSNK1D P48730 1/20 0.33
GSK3A P49840 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
SCHEMBL5028147 0.75 ITGB3 (0.79) ITGB3ITGAV
SCHEMBL5025637 0.75 ITGB3 (0.43) ITGB3ITGAVHSD17B10KDM4EGAA
SCHEMBL6439441 0.74 ITGB3 (0.51) ITGB3ITGAVDDX3XMEN1KMT2A
SCHEMBL5025438 0.74 ITGB3 (0.53) ITGB3ITGAVALDH1A1KDM4ESMN1; SMN2
SCHEMBL5024074 0.73 ITGB3 (0.48) ITGB3ITGAVHSD17B10ALDH1A1MAPK1
SCHEMBL6439442 0.73 ITGB3 (0.50) ITGB3ITGAVMEN1KMT2APLK4
SCHEMBL3771108 0.69 ALDH1A1 (0.61) ITGB3ITGAVAKR1C3DDX3XHSD17B10
SCHEMBL5028375 0.68 ITGB3 (0.46) ITGB3ITGAV
SCHEMBL5026276 0.65 ITGB3 (0.68) ITGB3ITGAVMAPK1
SCHEMBL5026328 0.65 ITGB3 (0.70) ITGB3ITGAVMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221082-A1 Ligands of Integrin Receptors ABBOTT GMBH & CO. KG (DE) 2008-09-11 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-20080221082-A1 Ligands of Integrin Receptors ITGB3, ITGAV, ITGA2B ITGB3 1/4885ITGAV 2/4885AKR1C3 2709/4885

“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.