SCHEMBL3428408

SCHEMBL3428408

COc1cccc(-c2cc(-c3cc4ccccc4n3C(=O)OC(C)(C)C)c(OC)nn2)c1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 18/20 0.51
NR1H3 Q13133 3/20 0.46
BRD4 O60885 1/20 0.44
CREBBP Q92793 1/20 0.44
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL1751863 0.87 NR1H2 (0.50) NR1H2NR1H3BRD4CREBBPCA12
SCHEMBL1751880 0.87 NR1H2 (0.53) NR1H2NR1H3CA12CA9
SCHEMBL17220653 0.85 NR1H2 (0.65) NR1H2NR1H3
SCHEMBL3425781 0.84 NR1H2 (0.48) NR1H2NR1H3CA12CA9
SCHEMBL3427836 0.84 NR1H2 (0.49) NR1H2NR1H3BRD4CREBBPCA12
SCHEMBL3426041 0.84 NR1H2 (0.48) NR1H2NR1H3BRD4CREBBPCA12
SCHEMBL3425608 0.83 TTK (0.49) NR1H2NR1H3BRD4CREBBPCA12
SCHEMBL1752239 0.82 NR1H2 (0.51) NR1H2NR1H3BRD4CREBBPCA12
SCHEMBL3425628 0.81 MAOB (0.39) NR1H2BRD4
SCHEMBL3424307 0.80 NR1H2 (0.46) NR1H2NR1H3BRD4CREBBPCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1753743-B1 PYRIDAZINONE DERIVATIVES, METHODS FOR PRODUCING THEM AND THEIR USE AS PHARMACEUTICALS SANOFI AVENTIS DEUTSCHLAND (DE) 2015-03-04 EP disclosed
US-7709466-B2 Pyridazinone derivatives, methods for their production and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-05-04 US disclosed
US-20070088041-A1 PYRIDAZINONE DERIVATIVES, METHODS FOR THEIR PRODUCTION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-04-19 US disclosed
EP-1753743-A1 PYRIDAZINONE DERIVATIVES, METHODS FOR PRODUCING THEM AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis Deutschland GmbH (DE) 2007-02-21 EP disclosed
WO-2005111018-A1 PYRIDAZINONE DERIVATIVES, METHODS FOR PRODUCING THEM AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-11-24 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 (1 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-20070088041-A1 PYRIDAZINONE DERIVATIVES, METHODS FOR THEIR PRODUCTION AND THEIR USE AS PHARMACEUTICALS GSK3B, GSK3A, PDXK NR1H2 1537/4885NR1H3 1436/4885BRD4 1694/4885

“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.