SCHEMBL4939767

SCHEMBL4939767

CC(C)(C)OC(=O)N1CCCC(c2cc(-c3ccccc3O)nc3c2CNS(=O)(=O)N3)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 2/20 0.44
SMARCA4 P51532 2/20 0.44
PBRM1 Q86U86 2/20 0.44
PIK3CD O00329 3/20 0.42
PIK3R2 O00459 3/20 0.42
PIK3CA P42336 3/20 0.42
PIK3CB P42338 3/20 0.42
PIK3CG P48736 3/20 0.42
PIK3R5 Q8WYR1 3/20 0.42
PIK3R3 Q92569 3/20 0.42
IKBKB O14920 1/20 0.41
HPGDS O60760 2/20 0.41
PRMT5 O14744 2/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TRPV3 Q8NET8 1/20 0.38
SCN9A Q15858 1/20 0.38
USP30 Q70CQ3 1/20 0.38
TERT O14746 1/20 0.38
PIM1 P11309 2/20 0.37

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
SCHEMBL4939775 0.93 SMARCA2 (0.44) SMARCA2SMARCA4PBRM1PIK3CDPIK3R2
SCHEMBL14028529 0.85 SMARCA2 (0.46) SMARCA2SMARCA4PBRM1PIK3CDPIK3R2
SCHEMBL14028532 0.85 SMARCA2 (0.44) SMARCA2SMARCA4PBRM1PIK3CDPIK3R2
SCHEMBL4942466 0.81 IKBKB (0.45) SMARCA2SMARCA4PBRM1PIK3CDPIK3R2
SCHEMBL7025589 0.80 SMARCA2 (0.44) SMARCA2SMARCA4PBRM1PIK3CDPIK3R2
SCHEMBL14046508 0.79 SMARCA2 (0.54) SMARCA2SMARCA4PBRM1IKBKBHPGDS
SCHEMBL14028510 0.78 SMARCA2 (0.53) SMARCA2SMARCA4PBRM1IKBKBHPGDS
SCHEMBL4944898 0.78 HPGD (0.47) SMARCA2SMARCA4PBRM1IKBKBHPGDS
SCHEMBL14028533 0.77 IKBKB (0.55) IKBKB
SCHEMBL4938233 0.77 SMARCA2 (0.51) SMARCA2SMARCA4PBRM1IKBKBHPGDS

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
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
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 SMARCA2 2927/4885SMARCA4 2634/4885PBRM1 2248/4885
US-20060100246-A1 Pyridine derivatives NAPRT, NNT, NANS SMARCA2 2808/4885SMARCA4 2731/4885PBRM1 3326/4885

“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.