SCHEMBL1913609

SCHEMBL1913609

CCC(OCOC)(c1ccncc1)c1cc(-c2c[nH]c3ncc(Br)cc23)nc(N)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 16/20 0.53
▸ PIK3CA P42336 1/20 0.40
▸ PIK3CG P48736 1/20 0.40
▸ CDK9 P50750 4/20 0.38
▸ CCNT1 O60563 3/20 0.38
▸ CCNA2 P20248 3/20 0.38
▸ CDK2 P24941 3/20 0.38
▸ CDC7 O00311 1/20 0.37
▸ DAPK3 O43293 1/20 0.37
▸ PRKD3 O94806 1/20 0.37
▸ MAP4K4 O95819 1/20 0.37
▸ PAK4 O96013 1/20 0.37
▸ PIM1 P11309 1/20 0.37
▸ PRKACA P17612 1/20 0.37
▸ GRK5 P34947 1/20 0.37
▸ MAP2K2 P36507 1/20 0.37
▸ MAPK8 P45983 1/20 0.37
▸ CSNK1A1 P48729 1/20 0.37
▸ CDK8 P49336 1/20 0.37
▸ CLK2 P49760 1/20 0.37

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
SCHEMBL1913497 0.88 PDPK1 (0.52) PDPK1PIK3CAPIK3CGCDK9CCNT1
SCHEMBL1913576 0.88 PDPK1 (0.52) PDPK1PIK3CAPIK3CGCDK9CCNT1
SCHEMBL1913526 0.88 PDPK1 (0.52) PDPK1PIK3CAPIK3CGCDK9CCNT1
SCHEMBL1913619 0.87 PDPK1 (0.50) PDPK1PIK3CAPIK3CGCDK9CCNT1
SCHEMBL1913448 0.87 PDPK1 (0.50) PDPK1PIK3CAPIK3CGCDK9CCNT1
SCHEMBL1913547 0.87 PDPK1 (0.50) PDPK1PIK3CAPIK3CGCDK9CCNT1
SCHEMBL1913542 0.80 PDPK1 (0.53) PDPK1PIK3CAPIK3CGCDK9CCNT1
SCHEMBL1913480 0.80 PDPK1 (0.49) PDPK1PIK3CAPIK3CGCDK9CCNT1
SCHEMBL1913537 0.79 PDPK1 (0.59) PDPK1
SCHEMBL1913605 0.77 PDPK1 (0.49) PDPK1PIK3CAPIK3CGCDK9CCNT1

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 425/4885PIK3CA 2306/4885PIK3CG 3573/4885

“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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