SCHEMBL4945867

SCHEMBL4945867

CC(=O)Nc1nc(-c2ccccc2OCc2ccccc2)cc(C2CCCN(C(=O)OC(C)(C)C)C2)c1C#N

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 7/20 0.51
PRMT5 O14744 3/20 0.44
GAA P10253 1/20 0.41
USP30 Q70CQ3 1/20 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
GPR119 Q8TDV5 1/20 0.39
TRPV3 Q8NET8 1/20 0.39
HTR6 P50406 3/20 0.39
BCHE P06276 2/20 0.39
HPGDS O60760 1/20 0.38
TLR9 Q9NR96 1/20 0.38
TLR7 Q9NYK1 1/20 0.38

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
SCHEMBL4945783 0.91 PRMT5 (0.44) IKBKBPRMT5USP30CCNT1CCNA2
SCHEMBL7025678 0.91 IKBKB (0.55) IKBKBGAAUSP30
SCHEMBL4944087 0.90 PRMT5 (0.43) IKBKBPRMT5USP30CCNT1CCNA2
SCHEMBL14046481 0.90 PRMT5 (0.45) IKBKBPRMT5USP30CCNT1CCNA2
SCHEMBL14339712 0.90 PRMT5 (0.46) IKBKBPRMT5USP30CCNT1CCNA2
SCHEMBL4939617 0.89 PRMT5 (0.46) IKBKBPRMT5USP30CCNT1CCNA2
SCHEMBL4939088 0.89 IKBKB (0.53) IKBKBPRMT5USP30CCNT1CCNA2
SCHEMBL14028460 0.86 PRMT5 (0.47) PRMT5USP30CCNT1CCNA2CDK2
SCHEMBL14046545 0.83 PRMT5 (0.45) PRMT5USP30CCNT1CCNA2CDK2
SCHEMBL14046479 0.82 PRMT5 (0.48) PRMT5USP30CCNT1CCNA2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7435743-B2 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2008-10-14 US disclosed
US-7435743-B2 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2008-10-14 US disclosed
EP-1326856-B1 PYRIDINE DERIVATIVES WITH IKB-KINASE (IKK-BETA) INHIBITING ACTIVITY BAYER HEALTHCARE AG (DE) 2007-12-19 EP disclosed
US-7232909-B2 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2007-06-19 US disclosed
US-7232909-B2 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2007-06-19 US disclosed
US-20060205676-A1 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2006-09-14 US disclosed
US-20060100246-A1 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2006-05-11 US disclosed
US-6984649-B1 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2006-01-10 US disclosed
CN-1476442-A Pyridine derivatives with IKB-kinase (IKK-beta) INhibiting activity 2004-02-18 CN disclosed
EP-1326856-A1 PYRIDINE DERIVATIVES WITH IKB-KINASE (IKK-BETA) INHIBITING ACTIVITY Bayer Aktiengesellschaft (DE) 2003-07-16 EP disclosed
US-6562811-B1 Inhibit I kappa B kinase beta (IKK- beta or IKK-beta) activity, thus inhibit nuclear factor kappa B (NF- kappa B) and can be used for the prophylaxis and treatment of inflammation BAYER AKTIENGESELLSCHAFT (DE) 2003-05-13 US disclosed
WO-2002024679-A1 PYRIDINE DERIVATIVES WITH IKB-KINASE (IKK-β) INHIBITING ACTIVITY BAYER AKTIENGESELLSCHAFT (DE) 2002-03-28 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-20060205676-A1 Pyridine derivatives CBR3, ARG1, HRH3 IKBKB 1024/4885PRMT5 181/4885GAA 4826/4885
US-20060100246-A1 Pyridine derivatives NAPRT, NNT, NANS IKBKB 2996/4885PRMT5 1544/4885GAA 1519/4885

“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.