SCHEMBL13386000

SCHEMBL13386000

CC[C@](O)(c1cc(-c2c[nH]c3ncc(-c4cnn(C)c4)nc23)nc(N)n1)c1ccccc1F

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 19/20 0.49
▸ MAPK1 P28482 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
SCHEMBL1915569 1.00 PDPK1 (0.49) PDPK1MAPK1
SCHEMBL1915403 1.00 PDPK1 (0.49) PDPK1MAPK1
SCHEMBL1915289 0.91 MAPK1 (0.50) PDPK1MAPK1
SCHEMBL12531536 0.90 PDPK1 (0.52) PDPK1MAPK1
SCHEMBL1916381 0.90 PDPK1 (0.53) PDPK1MAPK1
SCHEMBL12531468 0.90 PDPK1 (0.53) PDPK1MAPK1
SCHEMBL1915631 0.90 PDPK1 (0.53) PDPK1MAPK1
SCHEMBL1915649 0.89 PDPK1 (0.58) PDPK1MAPK1
SCHEMBL1915725 0.87 PDPK1 (0.53) PDPK1MAPK1
SCHEMBL1915506 0.87 PDPK1 (0.53) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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.

Send feedback