SCHEMBL5230752

SCHEMBL5230752

Cc1cc(Nc2ncc(-c3cccc(OC4CCCC4)c3)o2)cnc1N1CCN(C)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
VCP P55072 2/20 0.43
KDR P35968 4/20 0.41
FLT1 P17948 3/20 0.40
FLT4 P35916 3/20 0.40
IMPDH2 P12268 2/20 0.38
HRH4 Q9H3N8 1/20 0.37
ALOX5 P09917 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
BRD4 O60885 3/20 0.36
IKBKE Q14164 1/20 0.35
TBK1 Q9UHD2 1/20 0.35
KIT P10721 1/20 0.35
SIRT7 Q9NRC8 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
ADORA2A P29274 1/20 0.34
EGFR P00533 1/20 0.34

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
SCHEMBL16349127 0.92 VCP (0.43) VCPKDRFLT1FLT4IMPDH2
SCHEMBL5481749 0.89 VCP (0.46) VCPKDRFLT1FLT4IMPDH2
SCHEMBL5477719 0.86 VCP (0.46) VCPKDRFLT1FLT4IMPDH2
SCHEMBL5475253 0.86 VCP (0.50) VCPKDRFLT1FLT4IMPDH2
SCHEMBL5235804 0.85 VCP (0.49) VCPKDRFLT1FLT4IMPDH2
SCHEMBL5227541 0.83 VCP (0.45) VCPKDRFLT1FLT4IMPDH2
SCHEMBL5477651 0.82 VCP (0.44) VCPKDRIMPDH2BRD4EGFR
SCHEMBL16349174 0.81 VCP (0.45) VCPKDRFLT1FLT4IMPDH2
SCHEMBL5469590 0.80 CCNA2 (0.52) VCPIMPDH2BRD4
SCHEMBL16349175 0.78 KDR (0.45) VCPKDRFLT1FLT4IMPDH2

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
EP-1551813-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-07-11 EP claimed
US-20070142437-A1 CHEMICAL COMPOUNDS BROWN MATTHEW L 2007-06-21 US claimed
US-20050288515-A1 Chemical compounds SMITHLINE BEECHAM CORPORATION 2005-12-29 US claimed
EP-1551813-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-13 EP claimed
WO-2004032882-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-22 WO claimed
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

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 3873/4885KDR 33/4885FLT1 56/4885
US-20050288515-A1 Chemical compounds CDK4, CDK2, CDK3 VCP 3873/4885KDR 33/4885FLT1 56/4885

“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.