SCHEMBL5235804

SCHEMBL5235804

CN1CCN(c2ccc(Nc3ncc(-c4cccc(OC5CCCCC5)c4)o3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 3/20 0.49
MAPKAPK2 P49137 2/20 0.44
BRD4 O60885 6/20 0.43
JAK2 O60674 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
KDR P35968 3/20 0.41
IMPDH2 P12268 1/20 0.41
AURKA O14965 2/20 0.41
CDK4 P11802 2/20 0.41
FLT1 P17948 2/20 0.41
FLT4 P35916 2/20 0.41
INSR P06213 1/20 0.41
CDK1 P06493 1/20 0.41
PDGFRB P09619 1/20 0.41
SRC P12931 1/20 0.41
PDGFRA P16234 1/20 0.41
CDK7 P50613 1/20 0.41
NTRK2 Q16620 1/20 0.41
MELK Q14680 1/20 0.40
MAP4K1 Q92918 1/20 0.40

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
SCHEMBL5475253 0.99 VCP (0.50) VCPMAPKAPK2BRD4JAK2TRPV1
SCHEMBL16349077 0.89 VCP (0.47) VCPJAK2TRPV1KDRIMPDH2
SCHEMBL5477719 0.89 VCP (0.46) VCPJAK2TRPV1KDRIMPDH2
SCHEMBL16348971 0.88 VCP (0.48) VCPJAK2TRPV1KDRIMPDH2
SCHEMBL5472953 0.88 VCP (0.48) VCPJAK2TRPV1KDRIMPDH2
SCHEMBL5481749 0.88 VCP (0.46) VCPBRD4JAK2TRPV1KDR
SCHEMBL5227541 0.87 VCP (0.45) VCPBRD4JAK2KDRIMPDH2
SCHEMBL5477651 0.86 VCP (0.44) VCPBRD4JAK2KDRIMPDH2
SCHEMBL5472158 0.86 VCP (0.67) VCPMAPKAPK2BRD4JAK2KDR
SCHEMBL5230752 0.85 VCP (0.43) VCPBRD4TRPV1KDRIMPDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7189712-B2 1,3-Oxazole compounds for the treatment of cancer SMITHKLINE BEECHAM CORPORATION (US) 2007-03-13 US claimed
US-20050288515-A1 Chemical compounds SMITHLINE BEECHAM CORPORATION 2005-12-29 US claimed
EP-1551813-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-07-11 EP disclosed
US-20070142437-A1 CHEMICAL COMPOUNDS BROWN MATTHEW L 2007-06-21 US disclosed
US-20070142437-A1 CHEMICAL COMPOUNDS BROWN MATTHEW L 2007-06-21 US disclosed
US-7189712-B2 1,3-Oxazole compounds for the treatment of cancer SMITHKLINE BEECHAM CORPORATION (US) 2007-03-13 US disclosed
US-7189712-B2 1,3-Oxazole compounds for the treatment of cancer SMITHKLINE BEECHAM CORPORATION (US) 2007-03-13 US disclosed
US-20050288515-A1 Chemical compounds SMITHLINE BEECHAM CORPORATION 2005-12-29 US disclosed
EP-1551813-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-13 EP disclosed
WO-2004032882-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-22 WO 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-20070142437-A1 CHEMICAL COMPOUNDS CDK4, CDK2, CDK3 VCP 3873/4885MAPKAPK2 269/4885BRD4 201/4885
US-20050288515-A1 Chemical compounds CDK4, CDK2, CDK3 VCP 3873/4885MAPKAPK2 269/4885BRD4 201/4885

“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.