SCHEMBL1613032

SCHEMBL1613032

CC1c2cccc(Nc3nc(Nc4ccc(NC(=O)CBr)cn4)ncc3C(F)(F)F)c2C(=O)N1CCF

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 9/20 0.45
EGFR P00533 4/20 0.39
ERBB2 P04626 1/20 0.39
ERBB3 P21860 1/20 0.39
ERBB4 Q15303 1/20 0.39
KDR P35968 2/20 0.38
JAK2 O60674 1/20 0.38
NTRK1 P04629 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
PTK2B Q14289 1/20 0.38
NTRK3 Q16288 1/20 0.38
NTRK2 Q16620 1/20 0.38
AURKB Q96GD4 1/20 0.38
MAPK3 P27361 3/20 0.37
ULK1 O75385 2/20 0.37
CDC7 O00311 1/20 0.37
ROCK2 O75116 1/20 0.37
MAP4K4 O95819 1/20 0.37
PIM1 P11309 1/20 0.37

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
SCHEMBL12749221 0.93 PTK2 (0.46) PTK2EGFRERBB2ERBB3ERBB4
SCHEMBL1612172 0.89 PTK2 (0.47) PTK2EGFRERBB2ERBB3ERBB4
SCHEMBL1611748 0.88 PTK2 (0.55) PTK2EGFRERBB2ERBB3ERBB4
SCHEMBL13803979 0.81 PTK2 (0.55) PTK2EGFRERBB2ERBB3ERBB4
SCHEMBL12749425 0.79 PTK2 (0.55) PTK2EGFRERBB2ERBB3ERBB4
SCHEMBL1612492 0.79 PTK2 (0.56) PTK2EGFRERBB2ERBB3ERBB4
SCHEMBL12717452 0.79 PTK2 (0.44) PTK2EGFRERBB2ERBB3ERBB4
SCHEMBL1613273 0.78 PTK2 (0.55) PTK2EGFRERBB2ERBB3ERBB4
SCHEMBL1612314 0.78 EGFR (0.64) PTK2EGFRERBB2ERBB3ERBB4
SCHEMBL1612184 0.78 PTK2 (0.44) PTK2KDRAURKBMAPK3ULK1

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 13 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-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-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
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 833/4885EGFR 2739/4885ERBB2 2203/4885
US-20110086842-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP PTK2 833/4885EGFR 2739/4885ERBB2 2203/4885
US-20090149438-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP PTK2 833/4885EGFR 2739/4885ERBB2 2203/4885
US-20060148800-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP PTK2 833/4885EGFR 2739/4885ERBB2 2203/4885

“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.