SCHEMBL5481749

SCHEMBL5481749

Cc1cc(Nc2ncc(-c3cccc(OC4CCCC4)c3)o2)ccc1N1CCN(C)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.46
TNK2 Q07912 7/20 0.43
KDR P35968 4/20 0.42
IMPDH2 P12268 4/20 0.42
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
FLT1 P17948 3/20 0.41
FLT4 P35916 3/20 0.41
SRC P12931 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
BRD4 O60885 1/20 0.38

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
SCHEMBL5227541 0.92 VCP (0.45) VCPTNK2KDRIMPDH2JAK2
SCHEMBL5477651 0.92 VCP (0.44) VCPKDRIMPDH2JAK2JAK3
SCHEMBL16349174 0.91 VCP (0.45) VCPKDRIMPDH2JAK2FLT1
SCHEMBL5469590 0.89 CCNA2 (0.52) VCPIMPDH2CCNA2CDK2CCNA1
SCHEMBL5230752 0.89 VCP (0.43) VCPKDRIMPDH2FLT1FLT4
SCHEMBL5475253 0.89 VCP (0.50) VCPKDRIMPDH2JAK2FLT1
SCHEMBL5235804 0.88 VCP (0.49) VCPKDRIMPDH2JAK2FLT1
SCHEMBL5475439 0.87 VCP (0.60) VCPKDRIMPDH2JAK2JAK3
SCHEMBL5477719 0.87 VCP (0.46) VCPKDRIMPDH2JAK2JAK3
SCHEMBL16349061 0.82 VCP (0.43) VCPKDRIMPDH2FLT1FLT4

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
US-20050288515-A1 Chemical compounds SMITHLINE BEECHAM CORPORATION 2005-12-29 US 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 3873/4885TNK2 200/4885KDR 33/4885
US-20050288515-A1 Chemical compounds CDK4, CDK2, CDK3 VCP 3873/4885TNK2 200/4885KDR 33/4885

“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.