SCHEMBL1612341

SCHEMBL1612341

COc1cc(C(=O)NCCN2CCN(C)CC2)ccc1Nc1ncc(C(C)=O)c(Nc2cccc3c2C(=O)N(CCF)C3)n1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 15/20 0.50
IGF1R P08069 2/20 0.47
ALK Q9UM73 2/20 0.47
PLK1 P53350 1/20 0.44
PLK3 Q9H4B4 1/20 0.44
PLK2 Q9NYY3 1/20 0.44

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
SCHEMBL1613374 0.88 PTK2 (0.52) PTK2ALK
SCHEMBL1612345 0.85 PTK2 (0.47) PTK2IGF1RALK
SCHEMBL1612485 0.73 LRRK2 (0.52) PTK2IGF1R
SCHEMBL1613293 0.73 PTK2 (0.55) PTK2IGF1RALK
SCHEMBL12715990 0.70 PTK2 (0.66) PTK2
SCHEMBL1781475 0.70 TTK (0.64) PTK2IGF1RALKPLK1PLK3
SCHEMBL12627288 0.70 AURKA (0.65) PTK2PLK1
SCHEMBL12715986 0.69 PTK2 (0.61) PTK2
SCHEMBL12627281 0.69 AURKA (0.66) PTK2IGF1R
SCHEMBL12627297 0.69 AURKA (0.66) PTK2IGF1R

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20090149438-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-11 US disclosed
US-20090149438-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-11 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-7521457-B2 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-21 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 833/4885IGF1R 493/4885ALK 2657/4885
US-20110086842-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP PTK2 833/4885IGF1R 493/4885ALK 2657/4885
US-20090149438-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP PTK2 833/4885IGF1R 493/4885ALK 2657/4885
US-20060148800-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP PTK2 833/4885IGF1R 493/4885ALK 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.