SCHEMBL4946284

SCHEMBL4946284

CC(C)(C)OC(=O)N1CCCC(c2cc(-c3ccccc3O)nc(NCc3ccccc3)c2C#N)C1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 5/20 0.50
USP30 Q70CQ3 2/20 0.42
CCNT1 O60563 2/20 0.41
CDK9 P50750 2/20 0.41
TRPV3 Q8NET8 1/20 0.41
CHUK O15111 1/20 0.41
ACHE P22303 1/20 0.41
SMARCA2 P51531 2/20 0.41
SMARCA4 P51532 2/20 0.41
PBRM1 Q86U86 2/20 0.41
PRMT5 O14744 2/20 0.40
LMNA P02545 1/20 0.40
HPGDS O60760 1/20 0.39
ACKR3 P25106 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL14339776 0.93 IKBKB (0.42) IKBKBUSP30CCNT1CDK9TRPV3
SCHEMBL4945783 0.90 PRMT5 (0.44) IKBKBUSP30CCNT1CDK9TRPV3
SCHEMBL4948111 0.90 IKBKB (0.51) IKBKBUSP30TRPV3CHUKSMARCA2
SCHEMBL14046478 0.89 SMARCA2 (0.45) IKBKBUSP30CCNT1CDK9TRPV3
SCHEMBL4946551 0.85 IKBKB (0.70) IKBKBCHUKSMARCA2SMARCA4PBRM1
SCHEMBL4944087 0.83 PRMT5 (0.43) IKBKBUSP30CCNT1CDK9PRMT5
SCHEMBL4945867 0.81 IKBKB (0.51) IKBKBUSP30CCNT1CDK9TRPV3
SCHEMBL14046545 0.80 PRMT5 (0.45) USP30CCNT1CDK9TRPV3ACHE
SCHEMBL14339712 0.79 PRMT5 (0.46) IKBKBUSP30CCNT1CDK9PRMT5
SCHEMBL4939088 0.79 IKBKB (0.53) IKBKBUSP30CCNT1CDK9CHUK

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 11 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-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
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

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 1024/4885USP30 1478/4885CCNT1 242/4885
US-20060100246-A1 Pyridine derivatives NAPRT, NNT, NANS IKBKB 2996/4885USP30 3492/4885CCNT1 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.