SCHEMBL1913533

SCHEMBL1913533

COCOC(C)(c1cc(-c2c[nH]c3ncc(Br)cc23)nc(N)n1)c1ccccc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 14/20 0.51
▸ CDK2 P24941 5/20 0.40
▸ PRKD3 O94806 2/20 0.40
▸ MAP4K4 O95819 2/20 0.40
▸ MAPK8 P45983 2/20 0.40
▸ CLK2 P49760 2/20 0.40
▸ CDK5 Q00535 2/20 0.40
▸ MAP4K2 Q12851 2/20 0.40
▸ DYRK1A Q13627 2/20 0.40
▸ TAOK1 Q7L7X3 2/20 0.40
▸ CLK4 Q9HAZ1 2/20 0.40
▸ PLK4 O00444 1/20 0.40
▸ AURKA O14965 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ PRKCG P05129 1/20 0.40
▸ INSR P06213 1/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ FES P07332 1/20 0.40
▸ IGF1R P08069 1/20 0.40

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
SCHEMBL1913542 0.89 PDPK1 (0.53) PDPK1CDK2PRKD3MAP4K4MAPK8
SCHEMBL1913576 0.85 PDPK1 (0.52) PDPK1CDK2PRKD3MAP4K4MAPK8
SCHEMBL1913526 0.85 PDPK1 (0.52) PDPK1CDK2PRKD3MAP4K4MAPK8
SCHEMBL1913497 0.85 PDPK1 (0.52) PDPK1CDK2PRKD3MAP4K4MAPK8
SCHEMBL1913480 0.85 PDPK1 (0.49) PDPK1CDK2PRKD3MAP4K4MAPK8
SCHEMBL1913553 0.84 PDPK1 (0.65) PDPK1
SCHEMBL1913605 0.84 PDPK1 (0.49) PDPK1CDK2PRKD3MAP4K4MAPK8
SCHEMBL1913606 0.84 PDPK1 (0.49) PDPK1CDK2PRKD3MAP4K4MAPK8
SCHEMBL1913609 0.77 PDPK1 (0.53) PDPK1CDK2PRKD3MAP4K4MAPK8
SCHEMBL1913432 0.76 PDPK1 (0.65) 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 16 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
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 425/4885CDK2 7/4885PRKD3 697/4885

“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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