SCHEMBL2322052

SCHEMBL2322052

CC(C)NC(=O)C1CCCC1Nc1nc(Nc2ccc(C(=O)NC3CCN(C)CC3)cc2)ncc1C(F)(F)F

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 4/20 0.65
PTK2B Q14289 1/20 0.65
AURKA O14965 2/20 0.56
AURKB Q96GD4 2/20 0.56
LRRK2 Q5S007 1/20 0.53
KIT P10721 3/20 0.51
FLT3 P36888 3/20 0.51
CDK1 P06493 2/20 0.50
CDK2 P24941 2/20 0.50
BRD4 O60885 6/20 0.49
EGFR P00533 1/20 0.49
IGF1R P08069 1/20 0.47

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
SCHEMBL2322058 1.00 PTK2 (0.65) PTK2PTK2BAURKAAURKBLRRK2
SCHEMBL578552 0.93 PTK2 (0.69) PTK2PTK2BAURKAAURKBLRRK2
SCHEMBL578551 0.93 PTK2 (0.69) PTK2PTK2BAURKAAURKBLRRK2
SCHEMBL2322143 0.90 PTK2 (0.65) PTK2PTK2BAURKAAURKBKIT
SCHEMBL2322148 0.90 PTK2 (0.65) PTK2PTK2BAURKAAURKBKIT
SCHEMBL12236309 0.89 CDK1 (0.54) PTK2PTK2BLRRK2CDK1CDK2
SCHEMBL12235235 0.89 PTK2 (0.52) PTK2PTK2BAURKAAURKBKIT
SCHEMBL5576448 0.89 PTK2 (0.53) PTK2PTK2BAURKAKITFLT3
SCHEMBL12235658 0.89 PTK2 (0.53) PTK2PTK2BAURKAKITFLT3
SCHEMBL4189858 0.89 PTK2 (0.53) PTK2PTK2BAURKAKITFLT3

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
US-8623887-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-07 US claimed
EP-2357181-A1 2,4-Diaminopyrimidines as inhibitors of cell cycle kinases Boehringer Ingelheim International GmbH (DE) 2011-08-17 EP claimed
US-20090163467-A1 New compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 US claimed
US-8623887-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-07 US disclosed
EP-2357181-A1 2,4-Diaminopyrimidines as inhibitors of cell cycle kinases Boehringer Ingelheim International GmbH (DE) 2011-08-17 EP disclosed
US-20090163467-A1 New compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 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 (1 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-20090163467-A1 New compounds CCNA1, MKI67, CCNT1 PTK2 1550/4885PTK2B 2309/4885AURKA 2076/4885

“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.