SCHEMBL5472158

SCHEMBL5472158

COc1cccc(-c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)o2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 2/20 0.67
MAPKAPK2 P49137 1/20 0.58
JAK2 O60674 1/20 0.55
BRD4 O60885 3/20 0.54
IMPDH2 P12268 1/20 0.54
AURKA O14965 1/20 0.53
CDK4 P11802 1/20 0.53
FLT1 P17948 3/20 0.52
FLT4 P35916 3/20 0.52
KDR P35968 3/20 0.52
EGFR P00533 2/20 0.49
ERBB3 P21860 1/20 0.48
FGFR4 P22455 1/20 0.48
KDM1A O60341 2/20 0.48
CYP1A1 P04798 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP1B1 Q16678 1/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL5470454 0.92 VCP (0.69) VCPMAPKAPK2IMPDH2FLT1FLT4
SCHEMBL5469457 0.91 VCP (0.68) VCPMAPKAPK2JAK2IMPDH2FLT1
SCHEMBL5469448 0.90 BRD4 (0.55) VCPMAPKAPK2JAK2BRD4IMPDH2
SCHEMBL5230351 0.89 VCP (0.63) VCPMAPKAPK2JAK2BRD4IMPDH2
SCHEMBL5472810 0.89 BRD4 (0.56) VCPMAPKAPK2JAK2BRD4IMPDH2
SCHEMBL16348997 0.89 VCP (0.66) VCPMAPKAPK2JAK2IMPDH2FLT1
SCHEMBL5184581 0.88 VCP (0.52) VCPMAPKAPK2JAK2BRD4IMPDH2
SCHEMBL5465207 0.88 VCP (0.61) VCPMAPKAPK2JAK2BRD4IMPDH2
SCHEMBL5464712 0.88 VCP (0.51) VCPMAPKAPK2JAK2BRD4IMPDH2
SCHEMBL5475439 0.87 VCP (0.60) VCPMAPKAPK2JAK2BRD4IMPDH2

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 7 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
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 3873/4885MAPKAPK2 269/4885JAK2 35/4885
US-20050288515-A1 Chemical compounds CDK4, CDK2, CDK3 VCP 3873/4885MAPKAPK2 269/4885JAK2 35/4885

“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.