SCHEMBL1456384

SCHEMBL1456384

CC(C)N1CCC(O)(c2cc(-c3c[nH]c4ncc(-c5cnn(C(C)C)c5)cc34)nc(N)n2)CC1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 20/20 0.58
▸ PIK3CA P42336 3/20 0.49
▸ PIK3CD O00329 1/20 0.45

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
SCHEMBL1456909 0.93 PDPK1 (0.61) PDPK1PIK3CAPIK3CD
SCHEMBL1456829 0.92 PDPK1 (0.60) PDPK1PIK3CAPIK3CD
SCHEMBL1456361 0.91 PDPK1 (0.59) PDPK1PIK3CAPIK3CD
SCHEMBL1456249 0.85 PDPK1 (0.58) PDPK1PIK3CA
SCHEMBL1457165 0.83 PDPK1 (0.55) PDPK1PIK3CA
SCHEMBL1456531 0.78 PDPK1 (0.64) PDPK1PIK3CA
SCHEMBL1603277 0.78 PDPK1 (0.77) PDPK1PIK3CAPIK3CD
SCHEMBL1456527 0.78 PDPK1 (0.63) PDPK1PIK3CAPIK3CD
SCHEMBL1456792 0.77 PDPK1 (0.62) PDPK1PIK3CAPIK3CD
SCHEMBL1456034 0.77 PDPK1 (0.60) PDPK1PIK3CAPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102056926-B Pyrrolopyridinylpyrimidin-2-ylamine derivatives MERCK PATENT GMBH 2013-10-16 — — CN claimed
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
CN-102056926-A Pyrrolopyridinylpyrimidin-2-ylamine derivatives MERCK PATENT GMBH 2011-05-11 — — CN 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 2075/4885PIK3CD 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.

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