SCHEMBL2767997

SCHEMBL2767997

O=C(O)N[C@H]1CCN(CC2Cn3c(=O)ccc4ncc(Cl)c2c43)C[C@H]1O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.42
CDK4 P11802 2/20 0.35
CCND1 P24385 2/20 0.35
CCND3 P30281 2/20 0.35
CDK6 Q00534 2/20 0.35
UBE2M P61081 1/20 0.32
DCUN1D1 Q96GG9 1/20 0.32
JAK1 P23458 2/20 0.31
MELK Q14680 2/20 0.30

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
SCHEMBL3548508 0.84 KCNH2 (0.42) KCNH2MELK
SCHEMBL3548759 0.82 KCNH2 (0.44) KCNH2CDK4CCND1CCND3CDK6
SCHEMBL3543122 0.81 KCNH2 (0.53) KCNH2JAK1
SCHEMBL3543125 0.81 KCNH2 (0.53) KCNH2JAK1
SCHEMBL3328907 0.80 KCNH2 (0.39) KCNH2CDK4CCND1CCND3CDK6
SCHEMBL3547645 0.79 KCNH2 (0.66) KCNH2
Hydrochloric Acid SCHEMBL3553724 0.79 KCNH2 (0.65) KCNH2
SCHEMBL3553295 0.79 KCNH2 (0.57) KCNH2
SCHEMBL3546002 0.79 KCNH2 (0.47) KCNH2MELK
SCHEMBL3890370 0.78 KCNH2 (0.55) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100184751-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS BALLELL-PAGES LLUIS 2010-07-22 US disclosed
US-7732460-B2 Heterocyclic compounds, their preparation and their use as antibacterials GLAXO GROUP LIMITED (GB) 2010-06-08 US disclosed
EP-1963324-B1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LTD (GB) 2010-04-21 EP disclosed
US-20090036433-A1 Heterocyclic Compounds, their Preparation and their Use as Antibacterials GLAXO GROUP LIMITED (GB) 2009-02-05 US disclosed
EP-2005995-A1 Heterocyclic compounds for the treatment of tuberculosis GLAXO GROUP LIMITED (GB) 2008-12-24 EP disclosed
US-20070185153-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-08-09 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 (3 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-20070185153-A1 COMPOUNDS NRDC, NISCH, MRPL21 KCNH2 3013/4885CDK4 1114/4885CCND1 1144/4885
US-20100184751-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS SDHA, SDHB, NNT KCNH2 2498/4885CDK4 1384/4885CCND1 1463/4885
US-20090036433-A1 Heterocyclic Compounds, their Preparation and their Use as Antibacterials MRPL21, NACA, NISCH KCNH2 1599/4885CDK4 1746/4885CCND1 872/4885

“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.