SCHEMBL1456545

SCHEMBL1456545

CCc1cc(-c2c[nH]c3ncc(-c4cnn(C5CCN(C)CC5)c4)cc23)nc(NC)n1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 12/20 0.66
PIK3CA P42336 4/20 0.57
PIK3CD O00329 1/20 0.57
TNIK Q9UKE5 1/20 0.49
PAK1 Q13153 3/20 0.48
PAK4 O96013 2/20 0.46
PIK3CG P48736 1/20 0.46
SIK1 P57059 1/20 0.44
SIK3 Q9Y2K2 1/20 0.44
MET P08581 3/20 0.44

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
SCHEMBL1456912 0.93 PDPK1 (0.68) PDPK1PIK3CAPIK3CDTNIKPAK1
SCHEMBL1456803 0.91 PDPK1 (0.80) PDPK1PIK3CAPIK3CDPAK1PAK4
SCHEMBL1456037 0.89 PDPK1 (0.83) PDPK1PIK3CAPIK3CDTNIKPIK3CG
SCHEMBL2424135 0.88 PDPK1 (0.69) PDPK1PIK3CAPIK3CDTNIKPAK1
SCHEMBL1456941 0.86 PDPK1 (0.77) PDPK1PIK3CAPIK3CG
SCHEMBL1456765 0.84 PDPK1 (0.81) PDPK1PIK3CAPIK3CDPAK1PAK4
SCHEMBL1457186 0.82 PDPK1 (0.84) PDPK1PIK3CAPIK3CDTNIKPIK3CG
SCHEMBL27922675 0.81 PDPK1 (0.54) PDPK1PIK3CAPIK3CDPAK1PAK4
SCHEMBL2420578 0.81 PDPK1 (0.70) PDPK1PIK3CAPIK3CDTNIKPAK1
SCHEMBL27922673 0.81 PDPK1 (0.53) PDPK1PIK3CAPIK3CDPAK1PAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2291375-B1 PYRROLOPYRIDINYLPYRIMIDIN-2-YLAMINE DERIVATIVES MERCK PATENT GMBH (DE) 2016-01-06 EP claimed
JP-2011526260-A 2011-10-06 JP 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
EP-2291375-B1 PYRROLOPYRIDINYLPYRIMIDIN-2-YLAMINE DERIVATIVES MERCK PATENT GMBH (DE) 2016-01-06 EP 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
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 2075/4885PIK3CD 3165/4885

“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.