SCHEMBL3312959

SCHEMBL3312959

CCN(CC)CCOc1ccc(Nc2ncc(-c3ccc(OCc4ccccc4)c(F)c3)c(Nc3ccccc3OC)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.47
RIPK2 O43353 10/20 0.47
NOD2 Q9HC29 10/20 0.47
ACVR1 Q04771 8/20 0.47
ABL1 P00519 2/20 0.43
BCR P11274 1/20 0.43
KDR P35968 2/20 0.42
CDK4 P11802 2/20 0.41
CCND1 P24385 2/20 0.41
CCND2 P30279 2/20 0.41
CCND3 P30281 2/20 0.41
SRC P12931 2/20 0.41
WEE1 P30291 2/20 0.41
CCNT1 O60563 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CDK9 P50750 1/20 0.41
CCNA1 P78396 1/20 0.41
FGFR1 P11362 2/20 0.41
CHEK1 O14757 1/20 0.41

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
SCHEMBL3314387 0.90 RIPK2 (0.51) AURKARIPK2NOD2ACVR1ABL1
SCHEMBL3316162 0.90 RIPK2 (0.53) AURKARIPK2NOD2ACVR1ABL1
SCHEMBL3312781 0.88 RIPK2 (0.53) AURKARIPK2NOD2ACVR1ABL1
SCHEMBL3307388 0.87 RIPK2 (0.50) AURKARIPK2NOD2ACVR1ABL1
SCHEMBL3314321 0.86 RIPK2 (0.52) AURKARIPK2NOD2ACVR1ABL1
SCHEMBL3311064 0.86 RIPK2 (0.53) AURKARIPK2NOD2ACVR1ABL1
SCHEMBL3313138 0.86 RIPK2 (0.59) AURKARIPK2NOD2ACVR1ABL1
SCHEMBL14088400 0.86 RIPK2 (0.51) AURKARIPK2NOD2ACVR1ABL1
SCHEMBL3313035 0.85 RIPK2 (0.55) AURKARIPK2NOD2ACVR1ABL1
SCHEMBL3310082 0.85 RIPK2 (0.59) AURKARIPK2NOD2ACVR1ABL1

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
US-20100113445-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2010-05-06 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 (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 AURKA 251/4885RIPK2 1155/4885NOD2 3105/4885

“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.