SCHEMBL3313706

SCHEMBL3313706

C=Cc1ccc(-c2cnc(Nc3ccc(OCCN(CC)CC)cc3)nc2Nc2ccccc2OC)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 9/20 0.51
NOD2 Q9HC29 9/20 0.51
ACVR1 Q04771 7/20 0.50
CDK4 P11802 2/20 0.46
CCND1 P24385 2/20 0.46
CCND2 P30279 2/20 0.46
CCND3 P30281 2/20 0.46
AURKA O14965 1/20 0.44
KDR P35968 2/20 0.44
ABL1 P00519 2/20 0.44
BCR P11274 1/20 0.44
WEE1 P30291 4/20 0.43
SRC P12931 3/20 0.43
FGFR1 P11362 2/20 0.43
ALK Q9UM73 2/20 0.43
CHEK1 O14757 1/20 0.43
JAK2 O60674 1/20 0.43
PRKD3 O94806 1/20 0.43
MAP4K4 O95819 1/20 0.43
PAK4 O96013 1/20 0.43

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
SCHEMBL3310274 0.93 RIPK2 (0.53) RIPK2NOD2ACVR1CDK4CCND1
SCHEMBL3310082 0.92 RIPK2 (0.59) RIPK2NOD2ACVR1CDK4CCND1
SCHEMBL3311105 0.92 RIPK2 (0.54) RIPK2NOD2ACVR1CDK4CCND1
SCHEMBL3313138 0.92 RIPK2 (0.59) RIPK2NOD2ACVR1CDK4CCND1
SCHEMBL3314433 0.91 RIPK2 (0.53) RIPK2NOD2ACVR1CDK4CCND1
SCHEMBL13328781 0.90 RIPK2 (0.53) RIPK2NOD2ACVR1CDK4CCND1
SCHEMBL3312788 0.90 RIPK2 (0.53) RIPK2NOD2ACVR1CDK4CCND1
SCHEMBL3318256 0.90 RIPK2 (0.58) RIPK2NOD2ACVR1CDK4CCND1
SCHEMBL3315244 0.89 RIPK2 (0.52) RIPK2NOD2ACVR1CDK4CCND1
SCHEMBL3311480 0.89 RIPK2 (0.51) RIPK2NOD2ACVR1CDK4CCND1

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 4 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
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 RIPK2 1155/4885NOD2 3105/4885ACVR1 3761/4885

“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.