SCHEMBL1456941

SCHEMBL1456941

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

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 18/20 0.77
PIK3CA P42336 3/20 0.58
PIK3CG P48736 1/20 0.53
ALK Q9UM73 2/20 0.51

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
SCHEMBL1456785 0.88 PDPK1 (0.63) PDPK1PIK3CAPIK3CGALK
SCHEMBL1456341 0.87 PDPK1 (0.60) PDPK1PIK3CAPIK3CG
SCHEMBL1604696 0.87 PDPK1 (1.00) PDPK1PIK3CAPIK3CG
SCHEMBL1456750 0.86 PDPK1 (0.79) PDPK1PIK3CAPIK3CGALK
SCHEMBL1456545 0.86 PDPK1 (0.66) PDPK1PIK3CAPIK3CG
SCHEMBL2427679 0.85 PDPK1 (0.79) PDPK1PIK3CAPIK3CG
SCHEMBL1456803 0.85 PDPK1 (0.80) PDPK1PIK3CA
SCHEMBL27806455 0.84 PDPK1 (0.61) PDPK1PIK3CAPIK3CGALK
SCHEMBL1456952 0.83 PDPK1 (0.75) PDPK1PIK3CAPIK3CG
SCHEMBL1456730 0.82 PDPK1 (0.54) PDPK1PIK3CAPIK3CGALK

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 6 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 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 2075/4885PIK3CG 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.