SCHEMBL1915777

SCHEMBL1915777

CN(C)CC(O)(c1ccccc1)c1cc(-c2c[nH]c3ncc(-c4cnn(C)c4)nc23)nc(N)n1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 19/20 0.56
▸ MAPK1 P28482 1/20 0.46

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
SCHEMBL1915649 0.91 PDPK1 (0.58) PDPK1MAPK1
SCHEMBL1915652 0.87 PDPK1 (0.63) PDPK1MAPK1
SCHEMBL1915264 0.85 PDPK1 (0.60) PDPK1MAPK1
SCHEMBL1914945 0.84 MAPK1 (0.56) PDPK1MAPK1
SCHEMBL1915725 0.83 PDPK1 (0.53) PDPK1MAPK1
SCHEMBL1915441 0.83 PDPK1 (0.53) PDPK1MAPK1
SCHEMBL1915506 0.83 PDPK1 (0.53) PDPK1MAPK1
SCHEMBL1915403 0.82 PDPK1 (0.49) PDPK1MAPK1
SCHEMBL1915569 0.82 PDPK1 (0.49) PDPK1MAPK1
SCHEMBL13386000 0.82 PDPK1 (0.49) PDPK1MAPK1

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-2516442-B1 Pyrrolo[2,3-d]pyrazin-7-yl pyrimidine compounds MERCK PATENT GMBH (DE) 2013-12-25 — — EP claimed
EP-2516442-A1 PYRROLO[2,3-D]PYRAZIN-7-YL PYRIMIDINE COMPOUNDS Merck Patent GmbH (DE) 2012-10-31 — — EP claimed
US-20120270880-A1 PYRROLO [2,3-D] PYRAZIN-7-YLPYRIMIDINE COMPOUNDS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-25 — — US claimed
WO-2011076327-A1 PYRROLO[2,3-D]PYRAZIN-7-YL PYRIMIDINE COMPOUNDS MERCK PATENT GMBH (DE) 2011-06-30 — — WO claimed
US-8999986-B2 Pyrrolo [2,3—D] pyrazin—7—ylpyrimidine compounds MERCK PATENT GMBH (DE) 2015-04-07 — — US disclosed
US-8999986-B2 Pyrrolo [2,3—D] pyrazin—7—ylpyrimidine compounds MERCK PATENT GMBH (DE) 2015-04-07 — — US disclosed
US-8999986-B2 Pyrrolo [2,3—D] pyrazin—7—ylpyrimidine compounds MERCK PATENT GMBH (DE) 2015-04-07 — — US disclosed
US-20120270880-A1 PYRROLO [2,3-D] PYRAZIN-7-YLPYRIMIDINE COMPOUNDS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-25 — — US disclosed
US-20120270880-A1 PYRROLO [2,3-D] PYRAZIN-7-YLPYRIMIDINE COMPOUNDS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-25 — — US disclosed
US-20120270880-A1 PYRROLO [2,3-D] PYRAZIN-7-YLPYRIMIDINE COMPOUNDS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-25 — — US disclosed
WO-2011076327-A1 PYRROLO[2,3-D]PYRAZIN-7-YL PYRIMIDINE COMPOUNDS MERCK PATENT GMBH (DE) 2011-06-30 — — 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-20120270880-A1 PYRROLO [2,3-D] PYRAZIN-7-YLPYRIMIDINE COMPOUNDS MKI67, CDK4, CDK2 PDPK1 111/4885MAPK1 2512/4885

“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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