SCHEMBL2690236

SCHEMBL2690236

c1cn(-c2ncc3c(n2)N2CCCC[C@@H]2c2nncn2-3)cn1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CD38 P28907 3/20 0.35
NOS2 P35228 17/20 0.35

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
SCHEMBL2689688 0.97 CD38 (0.33) CD38NOS2
SCHEMBL2689534 0.82 NOS2 (0.36) CD38NOS2
SCHEMBL2689831 0.79 PDE2A (0.36)
SCHEMBL1288576 0.78 OGG1 (0.35) CD38NOS2
SCHEMBL1688434 0.78 OGG1 (0.35) CD38NOS2
SCHEMBL2690262 0.78 PDE2A (0.36)
SCHEMBL1688608 0.78 MAPT (0.39)
SCHEMBL2052922 0.78 NOS2 (0.38) CD38NOS2
SCHEMBL2052920 0.78 NOS2 (0.38) CD38NOS2
SCHEMBL1288558 0.76 BRD4 (0.54)

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-20120115848-A1 Inhibitors of Polo-Like Kinase ELAN PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
US-20120115848-A1 Inhibitors of Polo-Like Kinase ELAN PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
US-20120115848-A1 Inhibitors of Polo-Like Kinase ELAN PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
WO-2012048129-A2 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. (US) 2012-04-12 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-20120115848-A1 Inhibitors of Polo-Like Kinase PLK1, POLR2E, POLR2H CD38 2548/4885NOS2 3972/4885

“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.