SCHEMBL3586147

SCHEMBL3586147

CN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1ccc(Nc2nccc(-c3ccc(F)cc3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 2/20 0.47
CDK2 P24941 2/20 0.47
CCNA1 P78396 2/20 0.47
CCNT1 O60563 1/20 0.47
CDK9 P50750 1/20 0.47
JAK2 O60674 3/20 0.47
JAK3 P52333 2/20 0.47
PTK2 Q05397 1/20 0.47
MMP13 P45452 1/20 0.46
GPR119 Q8TDV5 4/20 0.45
IKBKB O14920 5/20 0.45
CHUK O15111 3/20 0.45
APOBEC3A P31941 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ACVR1 Q04771 1/20 0.45
HDAC1 Q13547 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 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
SCHEMBL4623116 0.91 L3MBTL1 (0.46) CCNA2CDK2CCNA1CCNT1CDK9
SCHEMBL3591634 0.85 GPR119 (0.46) CCNA2CDK2CDK9GPR119L3MBTL1
SCHEMBL3836876 0.84 CCNA2 (0.48) CCNA2CDK2CCNA1CCNT1CDK9
SCHEMBL3590831 0.81 IKBKB (0.53) IKBKBCHUKPIK3CAPIK3CBPIK3CG
SCHEMBL8315814 0.80 CDK2 (0.67) CCNA2CDK2CCNA1CCNT1CDK9
SCHEMBL21553399 0.79 ACVR1 (0.76) ACVR1
SCHEMBL4623175 0.78 EGFR (0.41) CCNA2CDK2CCNA1CCNT1CDK9
SCHEMBL25068549 0.78 CCNA2 (0.73) CCNA2CDK2CCNA1CCNT1CDK9
SCHEMBL3594580 0.77 IKBKB (0.54) IKBKBCHUK
SCHEMBL5436600 0.77 GPR119 (0.46) CCNA2CDK2CDK9GPR119APOBEC3A

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-20100069417-A1 NOVEL PHENYL(4-PHENYLPYRIMIDIN-2-YL)AMINE DERIVATIVES, THEIR PREPARATION, AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND IN PARTICULAR AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2010-03-18 US disclosed
EP-2111395-A1 NEW PHENYL- (4-PHENYL-PYRIMIDIN-2-YL) - AMINES DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF ESSENTIALLY AS IKK INHIBITORS Sanofi-Aventis (FR) 2009-10-28 EP disclosed
WO-2008099074-A1 PHENYL- (4-PHENYL-PYRIMIDIN-2-YL) - AMINE DERIVATIVES AS IKK INHIBITORS, PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS THEREOF 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 (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-20100069417-A1 NOVEL PHENYL(4-PHENYLPYRIMIDIN-2-YL)AMINE DERIVATIVES, THEIR PREPARATION, AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND IN PARTICULAR AS IKK INHIBITORS IKBKB, NFKBIA, IKBKE CCNA2 816/4885CDK2 59/4885CCNA1 919/4885

“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.