SCHEMBL3311057

SCHEMBL3311057

CCN(CC)CCOc1ccc(Nc2ncc(-c3ccccc3O)c(Nc3ccccc3OC)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 5/20 0.51
CCND1 P24385 5/20 0.51
CCND2 P30279 5/20 0.51
CCND3 P30281 5/20 0.51
AURKA O14965 1/20 0.51
RIPK2 O43353 7/20 0.48
NOD2 Q9HC29 7/20 0.48
ACVR1 Q04771 6/20 0.48
WEE1 P30291 5/20 0.47
FGFR1 P11362 2/20 0.45
FGFR2 P21802 2/20 0.45
FGFR4 P22455 2/20 0.45
FGFR3 P22607 2/20 0.45
ABL1 P00519 2/20 0.45
BCR P11274 1/20 0.45
SRC P12931 2/20 0.45
JAK2 O60674 2/20 0.45
NTRK1 P04629 2/20 0.45
KDR P35968 2/20 0.45
JAK3 P52333 2/20 0.45

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
SCHEMBL3313445 0.93 CDK4 (0.52) CDK4CCND1CCND2CCND3AURKA
SCHEMBL3311386 0.90 CDK4 (0.49) CDK4CCND1CCND2CCND3AURKA
SCHEMBL3318060 0.90 WEE1 (0.51) CDK4CCND1CCND2CCND3AURKA
SCHEMBL3313711 0.90 RIPK2 (0.56) CDK4CCND1CCND2CCND3AURKA
SCHEMBL3315845 0.90 AURKA (0.53) CDK4CCND1CCND2CCND3AURKA
SCHEMBL3313176 0.90 RIPK2 (0.60) CDK4CCND1CCND2CCND3RIPK2
SCHEMBL3318256 0.89 RIPK2 (0.58) CDK4CCND1CCND2CCND3AURKA
SCHEMBL3313138 0.89 RIPK2 (0.59) CDK4CCND1CCND2CCND3AURKA
SCHEMBL3310109 0.88 CDK4 (0.47) CDK4CCND1CCND2CCND3AURKA
SCHEMBL3313131 0.88 RIPK2 (0.53) CDK4CCND1CCND2CCND3AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2136632-A1 CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2009-12-30 EP claimed
WO-2008115742-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-09-25 WO claimed
US-20100113445-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2010-05-06 US disclosed
US-20100113445-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2010-05-06 US disclosed
US-20100113445-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2010-05-06 US disclosed
EP-2136632-A1 CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2009-12-30 EP disclosed
WO-2008115742-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-09-25 WO disclosed
WO-2008115742-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-09-25 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 (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-20100113445-A1 Chemical Compounds WEE1, WEE2, PRKDC CDK4 91/4885CCND1 1238/4885CCND2 1229/4885

“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.