SCHEMBL1456211

SCHEMBL1456211

CCc1cc(-c2c[nH]c3ncc(-c4cn(Cc5ccccc5)nn4)cc23)nc(N)n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 17/20 0.69
▸ PIK3CA P42336 3/20 0.58
▸ PIK3CG P48736 1/20 0.58
▸ CDK2 P24941 2/20 0.48
▸ CCNT1 O60563 1/20 0.48
▸ CCNA2 P20248 1/20 0.48
▸ CDK9 P50750 1/20 0.48
▸ ALK Q9UM73 1/20 0.47
▸ CDC7 O00311 1/20 0.47
▸ AURKA O14965 1/20 0.47
▸ CHUK O15111 1/20 0.47
▸ MAPK13 O15264 1/20 0.47
▸ DAPK3 O43293 1/20 0.47
▸ JAK2 O60674 1/20 0.47
▸ ROCK2 O75116 1/20 0.47
▸ CHEK2 O96017 1/20 0.47
▸ PRKCG P05129 1/20 0.47
▸ CDK1 P06493 1/20 0.47
▸ FGFR1 P11362 1/20 0.47
▸ PRKACA P17612 1/20 0.47

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
SCHEMBL1603767 0.82 PDPK1 (1.00) PDPK1PIK3CAPIK3CGCDK2CCNT1
SCHEMBL1456073 0.79 PDPK1 (0.69) PDPK1PIK3CAPIK3CGALK
SCHEMBL1456354 0.77 PDPK1 (0.77) PDPK1PIK3CAPIK3CGCDK2CCNT1
SCHEMBL286188 0.77 ALK (0.75) PDPK1ALKKDR
SCHEMBL1604708 0.76 PDPK1 (1.00) PDPK1PIK3CAPIK3CGCDK2CCNT1
SCHEMBL1603418 0.76 PDPK1 (1.00) PDPK1PIK3CAPIK3CGCDK2CCNT1
SCHEMBL1456058 0.76 PDPK1 (0.79) PDPK1PIK3CAPIK3CGCDK2CCNT1
SCHEMBL1456558 0.76 PDPK1 (0.72) PDPK1PIK3CAPIK3CGALK
SCHEMBL1604923 0.76 PDPK1 (1.00) PDPK1PIK3CAPIK3CGCDK2CCNT1
SCHEMBL1604696 0.75 PDPK1 (1.00) PDPK1PIK3CAPIK3CG

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420820-B2 Pyrrolopyridinylpyrimidin-2-ylamine derivatives MERCK PATENT GMBH (DE) 2013-04-16 — — US claimed
JP-2011526260-A — — 2011-10-06 — — JP claimed
US-20110218198-A1 Pyrrolopyridinylpyrimidin-2-ylamine derivatives MERCK PATENT GESELLSCHAFT (DE) 2011-09-08 — — US claimed
EP-2291375-A1 PYRROLOPYRIDINYLPYRIMIDIN-2-YLAMINE DERIVATIVES Merck Patent GmbH (DE) 2011-03-09 — — EP claimed
WO-2010000364-A1 PYRROLOPYRIDINYLPYRIMIDIN-2-YLAMINE DERIVATIVES MERCK PATENT GMBH (DE) 2010-01-07 — — WO claimed
US-8420820-B2 Pyrrolopyridinylpyrimidin-2-ylamine derivatives MERCK PATENT GMBH (DE) 2013-04-16 — — US disclosed
US-8420820-B2 Pyrrolopyridinylpyrimidin-2-ylamine derivatives MERCK PATENT GMBH (DE) 2013-04-16 — — US disclosed
US-8420820-B2 Pyrrolopyridinylpyrimidin-2-ylamine derivatives MERCK PATENT GMBH (DE) 2013-04-16 — — US disclosed
US-20110218198-A1 Pyrrolopyridinylpyrimidin-2-ylamine derivatives MERCK PATENT GESELLSCHAFT (DE) 2011-09-08 — — US disclosed
US-20110218198-A1 Pyrrolopyridinylpyrimidin-2-ylamine derivatives MERCK PATENT GESELLSCHAFT (DE) 2011-09-08 — — US disclosed
US-20110218198-A1 Pyrrolopyridinylpyrimidin-2-ylamine derivatives MERCK PATENT GESELLSCHAFT (DE) 2011-09-08 — — US disclosed
EP-2291375-A1 PYRROLOPYRIDINYLPYRIMIDIN-2-YLAMINE DERIVATIVES Merck Patent GmbH (DE) 2011-03-09 — — EP disclosed
WO-2010000364-A1 PYRROLOPYRIDINYLPYRIMIDIN-2-YLAMINE DERIVATIVES MERCK PATENT GMBH (DE) 2010-01-07 — — WO disclosed
WO-2010000364-A1 PYRROLOPYRIDINYLPYRIMIDIN-2-YLAMINE DERIVATIVES MERCK PATENT GMBH (DE) 2010-01-07 — — 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-20110218198-A1 Pyrrolopyridinylpyrimidin-2-ylamine derivatives MKI67, CCNT1, CCNI PDPK1 429/4885PIK3CA 2075/4885PIK3CG 3653/4885

“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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