SCHEMBL7104240

SCHEMBL7104240

CCN(CC)N(c1cc(=O)c1=O)C(Cc1ccc(Oc2ncnc3ccc(OC)cc23)cc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.42
BRAF P15056 2/20 0.42
MAPK14 Q16539 1/20 0.42
TNNI3K Q59H18 1/20 0.42
PDGFRB P09619 9/20 0.40
FLT4 P35916 8/20 0.40
CSF1R P07333 8/20 0.40
FLT3 P36888 7/20 0.40
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
PDGFRA P16234 1/20 0.38
RAF1 P04049 1/20 0.36

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
SCHEMBL7104074 0.91 KDR (0.49) KDRPDGFRBFLT4CSF1RFLT3
SCHEMBL7105547 0.86 MAPT (0.51) KDRBRAFPDGFRBFLT4CSF1R
SCHEMBL7104206 0.80 ITGB1 (0.52)
SCHEMBL7259000 0.79 DRD1 (0.37)
SCHEMBL7099861 0.78 ITGB1 (0.35)
SCHEMBL7104235 0.75 ITGB1 (0.66) KDRBRAFMAPK14TNNI3KPDGFRB
SCHEMBL7099959 0.74 RAB9A (0.46) KDRMAPK14PDGFRBFLT4CSF1R
SCHEMBL7259116 0.74 ITGB1 (0.33)
SCHEMBL7259188 0.73 ITGB1 (0.32)
SCHEMBL7105093 0.72 ITGB1 (0.65) KDRBRAFMAPK14TNNI3KPDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030162799-A1 Carbocyclic oxo, carboxy amines such as 3-(4-(3,5-Dichloro-4-pyridylcarboxamido)phenyl)-2-(2-propylamino-3,4 -dioxocyclobut-1-enyl)amino)propanoic acid, used as integrin antagonists; antiinflammatory agents CELLTECH R&D LIMITED (GB) 2003-08-28 US disclosed
US-6518283-B1 To modify integrin function in such a way as to beneficially modulate cell adhesion CELLTECH R&D LIMITED (GB) 2003-02-11 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-20030162799-A1 Carbocyclic oxo, carboxy amines such as 3-(4-(3,5-Dichloro-4-pyridylcarboxamido)phenyl)-2-(2-propylamino-3,4 -dioxocyclobut-1-enyl)amino)propanoic acid, used as integrin antagonists; antiinflammatory agents ICAM1, VCAM1, CCR1 KDR 285/4885BRAF 2471/4885MAPK14 2312/4885

“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.