SCHEMBL13554584

SCHEMBL13554584

Cn1cc(-c2cnc3[nH]cc(-c4cc([C@@](C)(O)c5ccccc5F)nc(N)n4)c3c2)cn1

nearest known ligand 0.71

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 20/20 0.71

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
SCHEMBL1913401 1.00 PDPK1 (0.71) PDPK1
SCHEMBL13554583 1.00 PDPK1 (0.71) PDPK1
SCHEMBL1913505 0.90 PDPK1 (0.66) PDPK1
SCHEMBL1913471 0.90 PDPK1 (0.66) PDPK1
SCHEMBL1913597 0.88 PDPK1 (0.64) PDPK1
SCHEMBL1913630 0.88 PDPK1 (0.64) PDPK1
SCHEMBL1913534 0.88 PDPK1 (0.64) PDPK1
SCHEMBL12530656 0.88 PDPK1 (0.65) PDPK1
SCHEMBL12530668 0.88 PDPK1 (0.67) PDPK1
SCHEMBL1916381 0.87 PDPK1 (0.53) PDPK1

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-2516431-B1 PYRROLOPYRIDINYL-PYRIMIDIN-2-YLAMINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-04-15 — — EP disclosed
US-8575163-B2 Pyrrolopyridinylpyrimidin-2-ylamine derivatives MERCK PATENT GMBH (DE) 2013-11-05 — — US disclosed
US-8575163-B2 Pyrrolopyridinylpyrimidin-2-ylamine derivatives MERCK PATENT GMBH (DE) 2013-11-05 — — US disclosed
US-20120270871-A1 PYRROLOPYRIDINYLPYRIMIDIN-2-YLAMINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-25 — — US disclosed
US-20120270871-A1 PYRROLOPYRIDINYLPYRIMIDIN-2-YLAMINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-25 — — 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 (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-20120270871-A1 PYRROLOPYRIDINYLPYRIMIDIN-2-YLAMINE DERIVATIVES MKI67, CCNI, CCNT1 PDPK1 425/4885

“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.

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