SCHEMBL1612019

SCHEMBL1612019

COc1cc(N2CCNCC2)ccc1Nc1ncc(C(F)(F)F)c(Nc2cccc3c2C(=O)N(CCF)C3C)n1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 15/20 0.68
EGFR P00533 1/20 0.64
PTK2 Q05397 4/20 0.55

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
SCHEMBL1613411 0.97 ALK (0.65) ALKEGFRPTK2
SCHEMBL12717298 0.95 ALK (0.60) ALKEGFRPTK2
SCHEMBL12717280 0.92 ALK (0.57) ALKEGFRPTK2
SCHEMBL13805512 0.89 PLK1 (0.57) ALKEGFRPTK2
SCHEMBL12717276 0.89 PTK2 (0.57) ALKEGFRPTK2
SCHEMBL1612392 0.86 PTK2 (0.58) ALKEGFRPTK2
SCHEMBL1613386 0.84 PTK2 (0.65) ALKEGFRPTK2
SCHEMBL1611593 0.83 PTK2 (0.51) ALKEGFRPTK2
SCHEMBL1611596 0.83 PTK2 (0.51) ALKEGFRPTK2
SCHEMBL1613414 0.82 PTK2 (0.70) PTK2

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 ALK 2657/4885EGFR 2739/4885PTK2 833/4885
US-20110086842-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP ALK 2657/4885EGFR 2739/4885PTK2 833/4885
US-20090149438-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP ALK 2657/4885EGFR 2739/4885PTK2 833/4885
US-20060148800-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP ALK 2657/4885EGFR 2739/4885PTK2 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.