SCHEMBL4925205

SCHEMBL4925205

c1cnc(Cn2ccnc2)c(Cn2ccnc2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 9/20 0.69
CYP11B2 P19099 6/20 0.69
POLB P06746 3/20 0.56
MAPT P10636 2/20 0.56
KDM4E B2RXH2 1/20 0.56
BRD4 O60885 1/20 0.56
LMNA P02545 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CYP19A1 P11511 7/20 0.55
TBXAS1 P24557 6/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
QPCT Q16769 1/20 0.51
CYP4Z1 Q86W10 1/20 0.51
QPCTL Q9NXS2 1/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL11240554 0.81 POLB (0.58) CYP11B1CYP11B2POLBMAPTKDM4E
SCHEMBL1806633 0.81 CYP11B1 (1.00) CYP11B1CYP11B2POLBMAPTKDM4E
SCHEMBL30523908 0.81 CYP11B1 (0.76) CYP11B1CYP11B2POLBMAPTCYP19A1
SCHEMBL15179016 0.81 CYP11B1 (0.76) CYP11B1CYP11B2POLBMAPTCYP19A1
SCHEMBL30523909 0.81 CYP11B1 (0.76) CYP11B1CYP11B2POLBMAPTCYP19A1
SCHEMBL2729164 0.78 CYP11B1 (1.00) CYP11B1CYP11B2POLBMAPTKDM4E
SCHEMBL11407205 0.78 CYP11B1 (0.54) CYP11B1CYP11B2POLBMAPTKDM4E
SCHEMBL29908918 0.77 POLB (0.81) CYP11B1CYP11B2POLBMAPTKDM4E
Iodide SCHEMBL1996528 0.76 CYP11B1 (0.60) CYP11B1CYP11B2POLBMAPTKDM4E
SCHEMBL11409546 0.75 CYP11B1 (0.49) CYP11B1CYP11B2POLBKDM4ECYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080267867-A1 Metal Complexes of N-Heterocyclic Carbenes as Radiopharmaceuticals and Antibiotics UNIVERSITY OF AKRON 2008-10-30 US disclosed
EP-1660444-A4 METAL COMPLEXES OF N-HETEROCYCLIC CARBENES AS RADIOPHARMACEUTICALS AND ANTIBIOTICS UNIV AKRON (US) 2007-12-26 EP disclosed
EP-1660444-A2 METAL COMPLEXES OF N-HETEROCYCLIC CARBENES AS RADIOPHARMACEUTICALS AND ANTIBIOTICS The University of Akron (US) 2006-05-31 EP disclosed
WO-2005023760-A2 METAL COMPLEXES OF N-HETEROCYCLIC CARBENES AS RADIOPHARMACEUTICALS AND ANTIBIOTICS THE UNIVERSITY OF AKRON (US) 2005-03-17 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-20080267867-A1 Metal Complexes of N-Heterocyclic Carbenes as Radiopharmaceuticals and Antibiotics MKI67, C1S, CYC1 CYP11B1 191/4885CYP11B2 393/4885POLB 1338/4885

“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.