SCHEMBL1913478

SCHEMBL1913478

CC[C@@](O)(c1ccc(F)cc1)c1cc(-c2c[nH]c3ncc(-c4cnn(C)c4)cc23)nc(N)n1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 19/20 0.65
▸ ALK Q9UM73 1/20 0.53

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
SCHEMBL1913484 1.00 PDPK1 (0.65) PDPK1ALK
SCHEMBL1913447 0.91 PDPK1 (0.66) PDPK1
SCHEMBL12530509 0.91 PDPK1 (0.66) PDPK1
SCHEMBL13554553 0.91 PDPK1 (0.66) PDPK1
SCHEMBL1913562 0.89 PDPK1 (0.64) PDPK1
SCHEMBL1913560 0.88 PDPK1 (0.68) PDPK1
SCHEMBL1913583 0.86 PDPK1 (0.60) PDPK1
SCHEMBL1913439 0.86 PDPK1 (0.60) PDPK1
SCHEMBL1913434 0.86 PDPK1 (0.66) PDPK1
SCHEMBL1913527 0.86 PDPK1 (0.62) 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 15 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 claimed
US-8575163-B2 Pyrrolopyridinylpyrimidin-2-ylamine derivatives MERCK PATENT GMBH (DE) 2013-11-05 — — US claimed
EP-2516431-A1 PYRROLOPYRIDINYL-PYRIMIDIN-2-YLAMINE DERIVATIVES Merck Patent GmbH (DE) 2012-10-31 — — EP claimed
US-20120270871-A1 PYRROLOPYRIDINYLPYRIMIDIN-2-YLAMINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-25 — — US claimed
WO-2011076316-A1 PYRROLOPYRIDINYL-PYRIMIDIN-2-YLAMINE DERIVATIVES MERCK PATENT GMBH (DE) 2011-06-30 — — WO claimed
EP-2516431-B1 PYRROLOPYRIDINYL-PYRIMIDIN-2-YLAMINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-04-15 — — EP disclosed
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-8575163-B2 Pyrrolopyridinylpyrimidin-2-ylamine derivatives MERCK PATENT GMBH (DE) 2013-11-05 — — US disclosed
EP-2516431-A1 PYRROLOPYRIDINYL-PYRIMIDIN-2-YLAMINE DERIVATIVES Merck Patent GmbH (DE) 2012-10-31 — — EP 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
US-20120270871-A1 PYRROLOPYRIDINYLPYRIMIDIN-2-YLAMINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-25 — — US disclosed
WO-2011076316-A1 PYRROLOPYRIDINYL-PYRIMIDIN-2-YLAMINE DERIVATIVES MERCK PATENT GMBH (DE) 2011-06-30 — — 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-20120270871-A1 PYRROLOPYRIDINYLPYRIMIDIN-2-YLAMINE DERIVATIVES MKI67, CCNI, CCNT1 PDPK1 425/4885ALK 1422/4885

“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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