SCHEMBL1611693

SCHEMBL1611693

CCCNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(Cl)n2)c(OC)c1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 13/20 0.68
▸ PTK2 Q05397 7/20 0.54

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
SCHEMBL380422 0.85 LRRK2 (0.64) LRRK2PTK2
SCHEMBL15226716 0.82 LRRK2 (0.58) LRRK2PTK2
SCHEMBL1376283 0.81 LRRK2 (0.80) LRRK2PTK2
SCHEMBL16995441 0.81 LRRK2 (0.70) LRRK2PTK2
SCHEMBL12065489 0.81 LRRK2 (1.00) LRRK2PTK2
SCHEMBL5568489 0.80 LRRK2 (0.64) LRRK2PTK2
SCHEMBL380932 0.79 PTK2 (0.52) LRRK2PTK2
SCHEMBL9275687 0.78 LRRK2 (0.49) LRRK2
SCHEMBL2033545 0.78 LRRK2 (0.50) LRRK2
SCHEMBL1613960 0.78 PTK2 (0.62) LRRK2PTK2

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781640-B1 2,4-DI(AMINOPHENYL)PYRIMIDINE DERIVATIVES AS PLK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2015-01-07 — — EP disclosed
EP-1781640-B1 2,4-DI(AMINOPHENYL)PYRIMIDINE DERIVATIVES AS PLK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2015-01-07 — — EP disclosed
EP-1751118-B1 PYRIMIDINES FOR USE AS PLK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-12-03 — — EP disclosed
EP-1751118-B1 PYRIMIDINES FOR USE AS PLK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-12-03 — — EP disclosed
US-20110086842-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 — — US disclosed
US-20110086842-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 — — US disclosed
US-20110086842-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 — — US disclosed
US-20090163465-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 — — US disclosed
US-20090163465-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 — — US disclosed
US-20090163465-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 — — US disclosed
US-7241769-B2 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-10 — — US disclosed
US-7241769-B2 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-10 — — US disclosed
US-7241769-B2 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-10 — — US disclosed
EP-1781640-A1 2,4-DI(AMINOPHENYL)PYRIMIDINE DERIVATIVES AS PLK INHIBITORS Boehringer Ingelheim International GmbH (DE) 2007-05-09 — — EP disclosed
EP-1751118-A1 PYRIMIDINES FOR USE AS PLK INHIBITORS Boehringer Ingelheim International GmbH (DE) 2007-02-14 — — EP disclosed
US-20060148800-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-07-06 — — US disclosed
WO-2006021544-A1 2,4-DI(AMINOPHENYL) PYRIMIDINES AS PLK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-03-02 — — WO disclosed
WO-2005113515-A1 PYRIMIDINES FOR USE AS PLK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-01 — — WO disclosed
US-20050261295-A1 2-Anilino-4-amino-, -oxy- or -thio-substituted, e.g., 2-(2-methoxy-4-N-propylcarbamoyl-phenylamino)-4-(2-carboxy-3-fluoro-phenylamino)-5-trifluoromethyl-pyrimidine; and 3-anilino--5-amino-, -oxy- or -thio-substituted 1,2,4-triazines; antiproliferative agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 — — US disclosed
EP-1598343-A1 2-Arylaminopyrimidine derivatives as PLK inhibitors Boehringer Ingelheim International GmbH (DE) 2005-11-23 — — EP 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 (4 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-20050261295-A1 2-Anilino-4-amino-, -oxy- or -thio-substituted, e.g., 2-(2-methoxy-4-N-propylcarbamoyl-phenylamino)-4-(2-carboxy-3-fluoro-phenylamino)-5-trifluoromethyl-pyrimidine; and 3-anilino--5-amino-, -oxy- or -thio-substituted 1,2,4-triazines; antiproliferative agents MKI67, CCNY, CCNO LRRK2 3385/4885PTK2 2484/4885
US-20090163465-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP LRRK2 1725/4885PTK2 833/4885
US-20110086842-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP LRRK2 1725/4885PTK2 833/4885
US-20060148800-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP LRRK2 1725/4885PTK2 833/4885

“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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