SCHEMBL4942443

SCHEMBL4942443

O=C1NCc2c(C3CCCN(C(=O)O)C3)cc(-c3ccccc3O)nc2N1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 7/20 0.41
CHUK O15111 1/20 0.36
MYC P01106 1/20 0.35
PDE2A O00408 1/20 0.35
SMARCA2 P51531 4/20 0.34
SMARCA4 P51532 4/20 0.34
PBRM1 Q86U86 4/20 0.34
NR1I2 O75469 2/20 0.34
NR1H2 P55055 1/20 0.34
AXL P30530 1/20 0.34
PROKR1 Q8TCW9 3/20 0.33
ARF6 P62330 1/20 0.33

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
SCHEMBL14028529 0.87 SMARCA2 (0.46) IKBKBSMARCA2SMARCA4PBRM1
SCHEMBL7197556 0.82 IKBKB (0.55) IKBKBCHUKARF6
Hydrochloric Acid SCHEMBL4940913 0.81 IKBKB (0.54) IKBKBCHUKARF6
SCHEMBL14028532 0.78 SMARCA2 (0.44) IKBKBSMARCA2SMARCA4PBRM1
SCHEMBL4942772 0.75 IKBKB (0.56) IKBKBCHUKMYCPDE2ASMARCA2
SCHEMBL4945716 0.73 IKBKB (0.52) IKBKBCHUKMYCPDE2ASMARCA2
SCHEMBL4942466 0.73 IKBKB (0.45) IKBKBSMARCA2SMARCA4PBRM1
SCHEMBL5718611 0.72 MEN1 (0.52) IKBKBCHUKSMARCA2SMARCA4PBRM1
SCHEMBL4942229 0.72 IKBKB (0.53) IKBKBCHUKMYCPDE2ASMARCA2
SCHEMBL7015775 0.72 IKBKB (0.51) IKBKBCHUKPDE2ASMARCA2SMARCA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 IKBKB 1024/4885CHUK 372/4885MYC 1984/4885
US-20060100246-A1 Pyridine derivatives NAPRT, NNT, NANS IKBKB 2996/4885CHUK 996/4885MYC 2499/4885

“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.