SCHEMBL4601613

SCHEMBL4601613

Nc1nc(-c2ncccc2O)c(O)c(C2CCCNC2)c1CO

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 15/20 0.46
CHUK O15111 1/20 0.41
ACVRL1 P37023 2/20 0.36

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
Hydrochloric Acid SCHEMBL4943385 0.99 IKBKB (0.46) IKBKBCHUKACVRL1
SCHEMBL4601608 0.81 IKBKB (0.52) IKBKBCHUK
Hydrochloric Acid SCHEMBL4943374 0.80 IKBKB (0.51) IKBKBCHUK
SCHEMBL14046537 0.72 IKBKB (0.55) IKBKBCHUK
SCHEMBL14028499 0.71 IKBKB (0.70) IKBKBCHUK
Hydrochloric Acid SCHEMBL4945023 0.70 IKBKB (0.68) IKBKBCHUK
Hydrochloric Acid SCHEMBL27601430 0.68 IKBKB (0.61) IKBKBCHUK
SCHEMBL14028239 0.68 IKBKB (0.75) IKBKBCHUK
Hydrochloric Acid SCHEMBL4944593 0.67 IKBKB (0.74) IKBKBCHUK
SCHEMBL14046386 0.67 IKBKB (0.76) IKBKBCHUK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912646-A2 COMBINATIONS CONTAINING IKK-BETA INHIBITORS Bayer HealthCare AG (DE) 2008-04-23 EP claimed
EP-1326856-B1 PYRIDINE DERIVATIVES WITH IKB-KINASE (IKK-BETA) INHIBITING ACTIVITY BAYER HEALTHCARE AG (DE) 2007-12-19 EP claimed
WO-2007014671-A2 COMBINATIONS CONTAINING IKK-BETA INHIBITORS BAYER HEALTHCARE AG (DE) 2007-02-08 WO claimed
US-6984649-B1 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2006-01-10 US claimed
US-7435743-B2 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2008-10-14 US disclosed
EP-1912646-A2 COMBINATIONS CONTAINING IKK-BETA INHIBITORS Bayer HealthCare AG (DE) 2008-04-23 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
WO-2007014671-A2 COMBINATIONS CONTAINING IKK-BETA INHIBITORS BAYER HEALTHCARE AG (DE) 2007-02-08 WO 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-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 1024/4885CHUK 372/4885ACVRL1 4524/4885
US-20060100246-A1 Pyridine derivatives NAPRT, NNT, NANS IKBKB 2996/4885CHUK 996/4885ACVRL1 2207/4885

“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.