SCHEMBL4945783

SCHEMBL4945783

CC(C)(C)OC(=O)N1CCCC(c2cc(-c3ccccc3OCc3ccccc3)nc(NCc3ccccc3)c2C#N)C1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 3/20 0.44
TLR9 Q9NR96 1/20 0.41
CCNT1 O60563 3/20 0.41
CDK9 P50750 3/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CCNA1 P78396 1/20 0.41
ACHE P22303 1/20 0.41
IKBKB O14920 5/20 0.40
HTR6 P50406 3/20 0.40
BCHE P06276 2/20 0.40
USP30 Q70CQ3 1/20 0.39
TRPV3 Q8NET8 1/20 0.39
TACR1 P25103 1/20 0.39
HPGDS O60760 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
SCHEMBL4944087 0.93 PRMT5 (0.43) PRMT5TLR9CCNT1CDK9CCNA2
SCHEMBL4945867 0.91 IKBKB (0.51) PRMT5TLR9CCNT1CDK9CCNA2
SCHEMBL4946284 0.90 IKBKB (0.50) PRMT5CCNT1CDK9ACHEIKBKB
SCHEMBL14046545 0.90 PRMT5 (0.45) PRMT5TLR9CCNT1CDK9CCNA2
SCHEMBL14339712 0.90 PRMT5 (0.46) PRMT5TLR9CCNT1CDK9CCNA2
SCHEMBL4939617 0.89 PRMT5 (0.46) PRMT5TLR9CCNT1CDK9CCNA2
SCHEMBL4939088 0.89 IKBKB (0.53) PRMT5CCNT1CDK9CCNA2CDK2
SCHEMBL14339776 0.84 IKBKB (0.42) PRMT5CCNT1CDK9ACHEIKBKB
SCHEMBL14046481 0.83 PRMT5 (0.45) PRMT5TLR9CCNT1CDK9CCNA2
SCHEMBL7025678 0.82 IKBKB (0.55) IKBKBUSP30

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
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
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 181/4885TLR9 634/4885CCNT1 242/4885
US-20060100246-A1 Pyridine derivatives NAPRT, NNT, NANS PRMT5 1544/4885TLR9 3770/4885CCNT1 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.