SCHEMBL1915509

SCHEMBL1915509

COc1nc(-c2c[nH]c3ncc(-c4cnn(C)c4)nc23)cc(C(C)(O)c2ccccc2F)n1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 9/20 0.46
▸ PDPK1 O15530 6/20 0.41
▸ FGFR4 P22455 1/20 0.39
▸ FGFR3 P22607 1/20 0.39
▸ ALK Q9UM73 1/20 0.38
▸ MAP4K1 Q92918 2/20 0.37
▸ KIT P10721 1/20 0.37

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
SCHEMBL13555499 0.91 MAPK1 (0.47) MAPK1PDPK1FGFR4FGFR3MAP4K1
SCHEMBL1916381 0.89 PDPK1 (0.53) MAPK1PDPK1
SCHEMBL12531468 0.89 PDPK1 (0.53) MAPK1PDPK1
SCHEMBL1915631 0.89 PDPK1 (0.53) MAPK1PDPK1
SCHEMBL1915265 0.88 MAPK1 (0.47) MAPK1PDPK1ALKMAP4K1KIT
SCHEMBL13555498 0.79 MAPK1 (0.47) MAPK1PDPK1FGFR4FGFR3MAP4K1
SCHEMBL12531518 0.79 FGFR4 (0.39) MAPK1FGFR4FGFR3MAP4K1KIT
SCHEMBL1915403 0.79 PDPK1 (0.49) MAPK1PDPK1
SCHEMBL1915569 0.79 PDPK1 (0.49) MAPK1PDPK1
SCHEMBL1915483 0.79 PDPK1 (0.61) MAPK1PDPK1

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 10 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 claimed
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
EP-2516442-A1 PYRROLO[2,3-D]PYRAZIN-7-YL PYRIMIDINE COMPOUNDS Merck Patent GmbH (DE) 2012-10-31 — — EP 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 MAPK1 2512/4885PDPK1 111/4885FGFR4 433/4885

“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