SCHEMBL1115328

SCHEMBL1115328

Fc1cccc2c1OC1(CCCCC1)c1nc(Nc3ccc(N4CCNCC4)cc3)ncc1-2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 8/20 0.52
LRRK2 Q5S007 1/20 0.45
TNK2 Q07912 3/20 0.44
CDK4 P11802 6/20 0.43
CCNA2 P20248 3/20 0.43
CCND1 P24385 3/20 0.43
CDK2 P24941 3/20 0.43
FGFR1 P11362 2/20 0.43
FGFR2 P21802 2/20 0.43
FGFR4 P22455 2/20 0.43
FGFR3 P22607 2/20 0.43
STAT6 P42226 1/20 0.43
STK17A Q9UEE5 1/20 0.43
CDK6 Q00534 3/20 0.42
PLK1 P53350 1/20 0.42
CCNE2 O96020 1/20 0.42
CCNE1 P24864 1/20 0.42
CCND2 P30279 1/20 0.42
CCND3 P30281 1/20 0.42
CCNA1 P78396 1/20 0.42

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
SCHEMBL1115541 0.93 WEE1 (0.52) WEE1LRRK2TNK2CDK4STAT6
SCHEMBL1642972 0.91 CDK6 (0.49) CDK4CCNA2CCND1CDK2FGFR1
SCHEMBL1115407 0.86 CDK4 (0.47) WEE1TNK2CDK4CCNA2CCND1
SCHEMBL1643626 0.85 WEE1 (0.47) WEE1TNK2CDK4CCNA2CCND1
SCHEMBL1643147 0.84 CDK4 (0.51) WEE1CDK4CCNA2CCND1CDK2
SCHEMBL1643760 0.83 WEE1 (0.47) WEE1TNK2CDK4CCNA2CCND1
SCHEMBL16314454 0.82 CDK2 (0.51) CDK4CCNA2CCND1CDK2FGFR1
SCHEMBL1115132 0.80 STAT6 (0.44) WEE1TNK2CDK4CCND1STAT6
SCHEMBL1115440 0.79 CDK4 (0.48) WEE1LRRK2CDK4CCNA2CCND1
SCHEMBL1643395 0.78 CDK4 (0.46) CDK4CCNA2CCND1CDK2FGFR1

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-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
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
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 WEE1 66/4885LRRK2 448/4885TNK2 1762/4885

“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.