SCHEMBL579158

SCHEMBL579158

CC(C)NC(=O)C1CCCC1Nc1nc(Nc2ccc(C(=O)O)cc2)ncc1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 9/20 0.57
PTK2B Q14289 5/20 0.57
GSK3A P49840 1/20 0.56
GSK3B P49841 1/20 0.56
KCNH2 Q12809 1/20 0.52
ULK1 O75385 3/20 0.52
KIT P10721 6/20 0.51
FLT3 P36888 6/20 0.51
JAK3 P52333 2/20 0.51
AURKA O14965 1/20 0.51
EGFR P00533 1/20 0.51
NTRK1 P04629 1/20 0.51
CDK1 P06493 1/20 0.51
IGF1R P08069 1/20 0.51
EPHA1 P21709 1/20 0.51
CDK2 P24941 1/20 0.51
BMX P51813 1/20 0.51
CDK6 Q00534 1/20 0.51
PAK1 Q13153 1/20 0.51
ALK Q9UM73 1/20 0.51

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
SCHEMBL2526061 1.00 PTK2 (0.57) PTK2PTK2BGSK3AGSK3BKCNH2
SCHEMBL10149253 1.00 PTK2 (0.57) PTK2PTK2BGSK3AGSK3BKCNH2
SCHEMBL4292631 0.96 GSK3A (0.57) PTK2PTK2BGSK3AGSK3BKCNH2
SCHEMBL578094 0.96 GSK3A (0.57) PTK2PTK2BGSK3AGSK3BKCNH2
SCHEMBL5576850 0.91 ULK1 (0.56) PTK2PTK2BKCNH2ULK1KIT
SCHEMBL5576857 0.91 ULK1 (0.56) PTK2PTK2BKCNH2ULK1KIT
SCHEMBL15328911 0.90 ULK1 (0.60) PTK2PTK2BKCNH2ULK1KIT
SCHEMBL12235598 0.90 ULK1 (0.60) PTK2PTK2BKCNH2ULK1KIT
SCHEMBL14616066 0.90 ULK1 (0.60) PTK2PTK2BKCNH2ULK1KIT
SCHEMBL3571205 0.90 FLT3 (0.54) PTK2PTK2BKCNH2ULK1KIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8623887-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-07 US disclosed
US-20130281429-A1 2,4-DIAMINO-PYRIMIDINES AS AURORA INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-24 US disclosed
EP-2109605-B1 2- [(PHENYLAMINO) -PYRIMIDIN-4YLAMIN0] -CYCLOPENTANE CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF KINASES OF THE CELL CYCLE FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INT (DE) 2013-02-20 EP disclosed
EP-2027107-B1 2, 4 -DIAMINO PYRIMIDINES AS CELL CYCLE KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2012-02-15 EP disclosed
US-20110251174-A1 2,4-DIAMINO-PYRIMIDINES AS AURORA INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-13 US disclosed
US-20100144706-A1 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-10 US disclosed
EP-1902037-B1 2,4-DIAMINO-PYRIMIDINES USED AS AURORA INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2009-09-02 EP disclosed
US-20090163467-A1 New compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 US disclosed
US-20070032514-A1 2,4-diamino-pyrimidines as aurora inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-08 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 (5 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-20100144706-A1 Compounds MKI67, CCNA1, CCNT1 PTK2 1486/4885PTK2B 2938/4885GSK3A 1624/4885
US-20110251174-A1 2,4-DIAMINO-PYRIMIDINES AS AURORA INHIBITORS AURKA, AURKC, AURKB PTK2 835/4885PTK2B 390/4885GSK3A 346/4885
US-20070032514-A1 2,4-diamino-pyrimidines as aurora inhibitors AURKA, AURKC, AURKB PTK2 835/4885PTK2B 390/4885GSK3A 346/4885
US-20130281429-A1 2,4-DIAMINO-PYRIMIDINES AS AURORA INHIBITORS AURKA, AURKC, AURKB PTK2 835/4885PTK2B 390/4885GSK3A 346/4885
US-20090163467-A1 New compounds CCNA1, MKI67, CCNT1 PTK2 1550/4885PTK2B 2309/4885GSK3A 1514/4885

“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.