SCHEMBL4939617

SCHEMBL4939617

CC(C)(C)OC(=O)N1CCCC(c2cc(-c3ccccc3OCc3ccccc3)nc(Br)c2C#N)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 4/20 0.46
IKBKB O14920 3/20 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
HPGDS O60760 1/20 0.40
GPR119 Q8TDV5 2/20 0.39
USP30 Q70CQ3 1/20 0.39
TRPV3 Q8NET8 1/20 0.39
HTR6 P50406 3/20 0.39
BCHE P06276 2/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
TLR9 Q9NR96 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 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
SCHEMBL14339712 0.92 PRMT5 (0.46) PRMT5IKBKBCCNT1CCNA2CDK2
SCHEMBL4939088 0.91 IKBKB (0.53) PRMT5IKBKBCCNT1CCNA2CDK2
SCHEMBL4945867 0.89 IKBKB (0.51) PRMT5IKBKBCCNT1CCNA2CDK2
SCHEMBL4945783 0.89 PRMT5 (0.44) PRMT5IKBKBCCNT1CCNA2CDK2
SCHEMBL14046544 0.89 IKBKB (0.43) PRMT5IKBKBUSP30ALDH1A1HPGD
SCHEMBL4944087 0.88 PRMT5 (0.43) PRMT5IKBKBCCNT1CCNA2CDK2
SCHEMBL4945904 0.87 PRMT5 (0.46) PRMT5CCNT1CCNA2CDK2CDK9
SCHEMBL14046479 0.84 PRMT5 (0.48) PRMT5CCNT1CCNA2CDK2CDK9
SCHEMBL4946697 0.84 IKBKB (0.58) PRMT5IKBKB
SCHEMBL4944836 0.82 PRMT5 (0.47) PRMT5CCNT1CCNA2CDK2CDK9

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 14 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
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-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 PRMT5 181/4885IKBKB 1024/4885CCNT1 242/4885
US-20060100246-A1 Pyridine derivatives NAPRT, NNT, NANS PRMT5 1544/4885IKBKB 2996/4885CCNT1 2407/4885

“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.