SCHEMBL1115435

SCHEMBL1115435

CN1CCN(c2ccc(Nc3ncc4c(n3)C3(CCCCC3)NC4=O)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 2/20 0.53
CDK4 P11802 8/20 0.50
CCND1 P24385 7/20 0.50
CCND2 P30279 6/20 0.50
CCND3 P30281 6/20 0.50
CCNE2 O96020 4/20 0.50
CCNE1 P24864 4/20 0.50
CDK2 P24941 4/20 0.50
FGFR4 P22455 3/20 0.50
CCNA2 P20248 3/20 0.50
CCNA1 P78396 3/20 0.50
CDK1 P06493 3/20 0.50
CCNB2 O95067 2/20 0.50
FGFR1 P11362 2/20 0.50
CCNB1 P14635 2/20 0.50
FGFR2 P21802 2/20 0.50
FGFR3 P22607 2/20 0.50
CCNB3 Q8WWL7 2/20 0.50
PLK1 P53350 1/20 0.49
PAK4 O96013 1/20 0.48

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
SCHEMBL1115320 0.89 CDK4 (0.51) CDK4CCND1CCND2CCND3CCNE2
SCHEMBL1115548 0.89 CDK4 (0.51) CDK4CCND1CCND2CCND3CCNE2
SCHEMBL1115542 0.88 CDK4 (0.50) CDK4CCND1CCND2CCND3CCNE2
SCHEMBL1115291 0.81 KDR (0.44) CDK4CCND1CCND3CCNE1CDK2
SCHEMBL1115334 0.74 ALK (0.50) TNK2CDK4CCND1CCND2CCND3
SCHEMBL10098760 0.74 TNK2 (0.67) TNK2CDK4CCND1CCND2CCND3
SCHEMBL11976922 0.74 PLK1 (0.64) TNK2CDK4CCND1CCND2CCND3
SCHEMBL1115315 0.72 TNK2 (0.55) TNK2CDK4CCND1CCND2CCND3
SCHEMBL29506448 0.72 TNK2 (0.59) TNK2CDK4CCND1CCND2CCND3
SCHEMBL21373314 0.72 TNK2 (0.59) TNK2CDK4CCND1CCND2CCND3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2278973-B1 GEM-DISUBSTITUTED AND SPIROCYCLIC AMINO PYRIDINES/PYRIMIDINES AS CELL CYCLE INHIBITORS AMGEN INC (US) 2011-11-02 EP claimed
US-20110097305-A1 Gem-Disubstituted and Spirocyclic Amino Pyridines/Pyrimidines as Cell Cycle Inhibitors AMGEN INC. (US) 2011-04-28 US claimed
EP-2278973-A1 GEM-DISUBSTITUTED AND SPIROCYCLIC AMINO PYRIDINES/PYRIMIDINES AS CELL CYCLE INHIBITORS Amgen Inc. (US) 2011-02-02 EP claimed
WO-2009126584-A1 GEM-DISUBSTITUTED AND SPIROCYCLIC AMINO PYRIDINES/PYRIMIDINES AS CELL CYCLE INHIBITORS AMGEN INC. (US) 2009-10-15 WO claimed
US-8389533-B2 Gem-disubstituted and spirocyclic amino pyridines/pyrimidines as cell cycle inhibitors AMGEN INC. (US) 2013-03-05 US disclosed
US-8389533-B2 Gem-disubstituted and spirocyclic amino pyridines/pyrimidines as cell cycle inhibitors AMGEN INC. (US) 2013-03-05 US disclosed
US-8389533-B2 Gem-disubstituted and spirocyclic amino pyridines/pyrimidines as cell cycle inhibitors AMGEN INC. (US) 2013-03-05 US disclosed
EP-2278973-B1 GEM-DISUBSTITUTED AND SPIROCYCLIC AMINO PYRIDINES/PYRIMIDINES AS CELL CYCLE INHIBITORS AMGEN INC (US) 2011-11-02 EP disclosed
US-20110097305-A1 Gem-Disubstituted and Spirocyclic Amino Pyridines/Pyrimidines as Cell Cycle Inhibitors AMGEN INC. (US) 2011-04-28 US disclosed
US-20110097305-A1 Gem-Disubstituted and Spirocyclic Amino Pyridines/Pyrimidines as Cell Cycle Inhibitors AMGEN INC. (US) 2011-04-28 US disclosed
US-20110097305-A1 Gem-Disubstituted and Spirocyclic Amino Pyridines/Pyrimidines as Cell Cycle Inhibitors AMGEN INC. (US) 2011-04-28 US disclosed
EP-2278973-A1 GEM-DISUBSTITUTED AND SPIROCYCLIC AMINO PYRIDINES/PYRIMIDINES AS CELL CYCLE INHIBITORS Amgen Inc. (US) 2011-02-02 EP disclosed
WO-2009126584-A1 GEM-DISUBSTITUTED AND SPIROCYCLIC AMINO PYRIDINES/PYRIMIDINES AS CELL CYCLE INHIBITORS AMGEN INC. (US) 2009-10-15 WO disclosed
WO-2009126584-A1 GEM-DISUBSTITUTED AND SPIROCYCLIC AMINO PYRIDINES/PYRIMIDINES AS CELL CYCLE INHIBITORS AMGEN INC. (US) 2009-10-15 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 (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-20110097305-A1 Gem-Disubstituted and Spirocyclic Amino Pyridines/Pyrimidines as Cell Cycle Inhibitors CDK4, CDK3, CDK6 TNK2 1762/4885CDK4 1/4885CCND1 14/4885

“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.