SCHEMBL13328682

SCHEMBL13328682

CCN(CC)CCOc1ccc(Nc2ncc(-c3cncnc3)c(Nc3ccccc3OC)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.51
BCR P11274 1/20 0.51
RIPK2 O43353 10/20 0.50
NOD2 Q9HC29 10/20 0.50
ACVR1 Q04771 8/20 0.50
CDK4 P11802 2/20 0.47
CCND1 P24385 2/20 0.47
CCND2 P30279 2/20 0.47
CCND3 P30281 2/20 0.47
AURKA O14965 1/20 0.46
WEE1 P30291 4/20 0.45
SRC P12931 3/20 0.45
KDR P35968 2/20 0.44
FGFR1 P11362 2/20 0.44
CHEK1 O14757 1/20 0.44
JAK2 O60674 1/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44
PAK4 O96013 1/20 0.44
EGFR P00533 1/20 0.44

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
SCHEMBL13328686 0.92 ABL1 (0.57) ABL1BCRRIPK2NOD2ACVR1
SCHEMBL3313138 0.92 RIPK2 (0.59) ABL1BCRRIPK2NOD2ACVR1
SCHEMBL13328687 0.92 RIPK2 (0.52) ABL1BCRRIPK2NOD2ACVR1
SCHEMBL3310082 0.91 RIPK2 (0.59) ABL1BCRRIPK2NOD2ACVR1
SCHEMBL3311105 0.90 RIPK2 (0.54) ABL1BCRRIPK2NOD2ACVR1
SCHEMBL3314433 0.90 RIPK2 (0.53) ABL1BCRRIPK2NOD2ACVR1
SCHEMBL3313445 0.89 CDK4 (0.52) ABL1BCRRIPK2NOD2ACVR1
SCHEMBL3312781 0.89 RIPK2 (0.53) ABL1BCRRIPK2NOD2ACVR1
SCHEMBL3312788 0.89 RIPK2 (0.53) ABL1BCRRIPK2NOD2ACVR1
SCHEMBL3311064 0.89 RIPK2 (0.53) ABL1BCRRIPK2NOD2ACVR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 ABL1 21/4885BCR 1819/4885RIPK2 1155/4885

“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.