SCHEMBL4414495

SCHEMBL4414495

CCOC(=O)CCCn1cnc2c(Cl)ncnc21

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 2/20 0.50
TNF P01375 7/20 0.48
FGFR1 P11362 4/20 0.47
FGFR4 P22455 4/20 0.47
P2RX7 Q99572 2/20 0.47
ADCY5 O95622 1/20 0.46
FDPS P14324 1/20 0.46
HDAC6 Q9UBN7 1/20 0.45
ADORA2A P29274 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
SCHEMBL6045654 0.85 EP300 (0.66) EP300TNFFGFR1ADCY5ADORA2A
SCHEMBL6045652 0.81 EP300 (0.72) EP300FGFR1ADCY5ADORA2A
SCHEMBL6045566 0.81 EP300 (0.72) EP300FGFR1ADCY5ADORA2A
SCHEMBL17078412 0.80 HDAC1 (0.51) EP300TNFP2RX7HDAC6
SCHEMBL28448960 0.80 HSP90AB1 (0.48) TNFHDAC6
SCHEMBL9534919 0.80 P2RX7 (0.51) FGFR1FGFR4P2RX7ADCY5FDPS
SCHEMBL8982987 0.79 ADORA2A (0.68) FGFR1FGFR4P2RX7FDPSHDAC6
SCHEMBL31331791 0.79 ADORA2A (0.68) FGFR1FGFR4P2RX7FDPSHDAC6
SCHEMBL6045687 0.78 EP300 (0.62) EP300FGFR1ADCY5ADORA2A
SCHEMBL10589823 0.77 ADORA2A (0.61) FGFR1FGFR4P2RX7FDPSHDAC6

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-1313737-B1 NOVEL GUANIDINO DERIVATIVES AS INHIBITORS OF CELL ADHESION AVENTIS PHARMA GMBH (DE) 2009-06-03 EP disclosed
US-7259159-B2 Guanidino derivatives as inhibitors of cell adhesion SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-21 US disclosed
US-20030203896-A1 Novel guanidino derivatives as inhibitors of cell adhesion SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-10-30 US disclosed
EP-1313737-A1 NOVEL GUANIDINO DERIVATIVES AS INHIBITORS OF CELL ADHESION Aventis Pharma Deutschland GmbH (DE) 2003-05-28 EP disclosed
WO-2002010168-A1 NOVEL GUANIDINO DERIVATIVES AS INHIBITORS OF CELL ADHESION AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-02-07 WO disclosed
EP-1176145-A1 Novel guanidino derivatives as inhibitors of cell adhesion Aventis Pharma Deutschland GmbH (DE) 2002-01-30 EP 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-20030203896-A1 Novel guanidino derivatives as inhibitors of cell adhesion ADGRF1, VCAM1, ADGRE5 EP300 3163/4885TNF 1255/4885FGFR1 962/4885

“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.