SCHEMBL1456700

SCHEMBL1456700

CCc1cc(-c2c[nH]c3ncc(-c4cccc(C(=O)NCCN(C)C)c4)cc23)nc(N)n1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 15/20 0.66
▸ PIK3CA P42336 3/20 0.60
▸ PIK3CG P48736 1/20 0.58
▸ IGF1R P08069 3/20 0.55
▸ PRKD3 O94806 1/20 0.53
▸ PRKD1 Q15139 1/20 0.53
▸ PRKD2 Q9BZL6 1/20 0.53
▸ MAP4K4 O95819 1/20 0.50

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
SCHEMBL27826957 0.86 PDPK1 (0.67) PDPK1PIK3CAPIK3CGPRKD3PRKD2
SCHEMBL2421437 0.82 PDPK1 (0.56) PDPK1PIK3CAPIK3CG
SCHEMBL1603767 0.80 PDPK1 (1.00) PDPK1PIK3CAPIK3CG
SCHEMBL4159369 0.80 AXL (0.64) PDPK1IGF1RPRKD3PRKD1PRKD2
SCHEMBL14412957 0.80 IGF1R (0.62) PDPK1IGF1RPRKD3PRKD1PRKD2
SCHEMBL1603268 0.79 PDPK1 (0.74) PDPK1PIK3CAPIK3CG
SCHEMBL12763007 0.78 IGF1R (0.64) PDPK1IGF1RPRKD3PRKD1PRKD2
SCHEMBL1603418 0.78 PDPK1 (1.00) PDPK1PIK3CAPIK3CG
SCHEMBL1603480 0.78 PDPK1 (0.79) PDPK1PIK3CAPIK3CG
SCHEMBL1604908 0.77 PDPK1 (0.75) 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 13 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
CN-102056926-B Pyrrolopyridinylpyrimidin-2-ylamine derivatives MERCK PATENT GMBH 2013-10-16 — — CN 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
CN-102056926-A Pyrrolopyridinylpyrimidin-2-ylamine derivatives MERCK PATENT GMBH 2011-05-11 — — CN 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

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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