SCHEMBL3568059

SCHEMBL3568059

CC(C)(C)OC(=O)N1CCC(N(CCN2CCCC2)S(=O)(=O)c2ccc(Nc3nccc(Cl)n3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.42
NAMPT P43490 1/20 0.40
STS P08842 1/20 0.40
CCND3 P30281 2/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
CCND2 P30279 1/20 0.38
SYK P43405 1/20 0.38
CCNK O75909 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CDK9 P50750 1/20 0.38
CDK6 Q00534 1/20 0.38
MAPT P10636 1/20 0.38
SRC P12931 1/20 0.38
ABL1 P00519 1/20 0.38
TGFBR1 P36897 1/20 0.37

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
SCHEMBL4623175 0.90 EGFR (0.41) GPR119NAMPTCCNA2CDK2CDK9
SCHEMBL4880614 0.88 SRC (0.39) SYKSRCABL1
SCHEMBL3591634 0.86 GPR119 (0.46) GPR119NAMPTSTSCCND3CCNK
SCHEMBL13407810 0.83 MAPK8 (0.41) GPR119
SCHEMBL3582129 0.82 AURKA (0.41) CDK4CDK2SRCABL1
SCHEMBL3594259 0.79 JAK2 (0.40)
SCHEMBL3836986 0.79 GPR119 (0.49) GPR119NAMPTSTSCCND3CDK4
SCHEMBL4623173 0.77 TRPV1 (0.39) GPR119NAMPTCCND3CDK4CCND1
SCHEMBL4623410 0.75 MAPT (0.46) CDK4CDK2MAPTSRC
SCHEMBL4623116 0.75 L3MBTL1 (0.46) GPR119NAMPTCCNA2CDK2CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100099694-A1 2-ANILINO-4-HETEROARYL PYRIMIDINE DERIVATIVES, AND PREPARATION THEREOF AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS, AND IN PARTICULAR IKK INHIBITORS SANOFI-AVENTIS (FR) 2010-04-22 US disclosed
US-20100099694-A1 2-ANILINO-4-HETEROARYL PYRIMIDINE DERIVATIVES, AND PREPARATION THEREOF AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS, AND IN PARTICULAR IKK INHIBITORS SANOFI-AVENTIS (FR) 2010-04-22 US disclosed
US-20100099694-A1 2-ANILINO-4-HETEROARYL PYRIMIDINE DERIVATIVES, AND PREPARATION THEREOF AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS, AND IN PARTICULAR IKK INHIBITORS SANOFI-AVENTIS (FR) 2010-04-22 US disclosed
EP-2108016-A1 2-ANILINO-4-HETEROARYL PYRIMIDINE DERIVATIVES, AND PREPARATION THEREOF AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS, AND IN PARTICULAR IKK INHIBITORS Sanofi-Aventis (FR) 2009-10-14 EP disclosed
US-20080269170-A1 Novel 2,4-Dianilinopyrimidine Derivatives, the Preparation Thereof, Their Use as Medicaments, Pharmaceutical Compositions and, in Particular, as IKK Inhibitors SANOFI-AVENTIS (FR) 2008-10-30 US disclosed
WO-2008099075-A1 2-ANILINO-4-HETEROARYL PYRIMIDINE DERIVATIVES, AND PREPARATION THEREOF AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS, AND IN PARTICULAR IKK INHIBITORS SANOFI-AVENTIS (FR) 2008-08-21 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 (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-20100099694-A1 2-ANILINO-4-HETEROARYL PYRIMIDINE DERIVATIVES, AND PREPARATION THEREOF AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS, AND IN PARTICULAR IKK INHIBITORS CHUK, IKBKB, IKBKE GPR119 1666/4885NAMPT 1472/4885STS 3873/4885
US-20080269170-A1 Novel 2,4-Dianilinopyrimidine Derivatives, the Preparation Thereof, Their Use as Medicaments, Pharmaceutical Compositions and, in Particular, as IKK Inhibitors NFKBIA, IKBKB, IKBKE GPR119 2069/4885NAMPT 1936/4885STS 4319/4885

“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.