SCHEMBL1611596

SCHEMBL1611596

COc1cc(N2C=CN(C(C)C)C=CC2)ccc1Nc1ncc(C(F)(F)F)c(Nc2cccc3c2C(=O)N(CCF)C3C)n1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 7/20 0.51
ALK Q9UM73 11/20 0.45
EGFR P00533 1/20 0.44
MAPK3 P27361 1/20 0.43

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
SCHEMBL1611593 0.89 PTK2 (0.51) PTK2ALKEGFR
SCHEMBL12717276 0.84 PTK2 (0.57) PTK2ALKEGFR
SCHEMBL1612019 0.83 ALK (0.68) PTK2ALKEGFR
SCHEMBL1612392 0.83 PTK2 (0.58) PTK2ALKEGFR
SCHEMBL12717298 0.82 ALK (0.60) PTK2ALKEGFR
SCHEMBL1613411 0.81 ALK (0.65) PTK2ALKEGFR
SCHEMBL1613386 0.81 PTK2 (0.65) PTK2ALKEGFR
SCHEMBL13805512 0.80 PLK1 (0.57) PTK2ALKEGFR
SCHEMBL12717280 0.80 ALK (0.57) PTK2ALKEGFR
SCHEMBL1612314 0.80 EGFR (0.64) PTK2EGFR

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
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
US-20060148800-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-07-06 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 (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 833/4885ALK 2657/4885EGFR 2739/4885
US-20110086842-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP PTK2 833/4885ALK 2657/4885EGFR 2739/4885
US-20090149438-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP PTK2 833/4885ALK 2657/4885EGFR 2739/4885
US-20060148800-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP PTK2 833/4885ALK 2657/4885EGFR 2739/4885

“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.