SCHEMBL1613386

SCHEMBL1613386

COc1cc(C(=O)O)ccc1Nc1ncc(C(F)(F)F)c(Nc2cccc3c2C(=O)N(CCF)C3C)n1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 9/20 0.65
LRRK2 Q5S007 9/20 0.51
ALK Q9UM73 1/20 0.48
EGFR P00533 1/20 0.47
ERBB2 P04626 1/20 0.47
ERBB3 P21860 1/20 0.47
ERBB4 Q15303 1/20 0.47

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
SCHEMBL1612392 0.89 PTK2 (0.58) PTK2LRRK2ALKEGFRERBB2
SCHEMBL1613415 0.89 PTK2 (0.61) PTK2LRRK2ALKEGFRERBB2
SCHEMBL1612492 0.88 PTK2 (0.56) PTK2ALKEGFRERBB2ERBB3
SCHEMBL13895958 0.87 PTK2 (0.62) PTK2LRRK2ALK
SCHEMBL1612314 0.87 EGFR (0.64) PTK2EGFRERBB2ERBB3ERBB4
SCHEMBL1611748 0.87 PTK2 (0.55) PTK2ALKEGFRERBB2ERBB3
SCHEMBL13803979 0.87 PTK2 (0.55) PTK2LRRK2ALKEGFRERBB2
SCHEMBL1613387 0.87 PTK2 (0.63) PTK2LRRK2
SCHEMBL1613359 0.86 PTK2 (0.77) PTK2LRRK2
SCHEMBL1613414 0.85 PTK2 (0.70) PTK2LRRK2

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 8 patents. 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
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-20090149438-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-11 US disclosed
US-7521457-B2 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-21 US disclosed
EP-1781640-A1 2,4-DI(AMINOPHENYL)PYRIMIDINE DERIVATIVES AS PLK INHIBITORS Boehringer Ingelheim International GmbH (DE) 2007-05-09 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

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-20090163465-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP PTK2 833/4885LRRK2 1725/4885ALK 2657/4885
US-20110086842-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP PTK2 833/4885LRRK2 1725/4885ALK 2657/4885
US-20090149438-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP PTK2 833/4885LRRK2 1725/4885ALK 2657/4885
US-20060148800-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP PTK2 833/4885LRRK2 1725/4885ALK 2657/4885

“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.