SCHEMBL2560191

SCHEMBL2560191

c1cnc2c(c1)-c1cnc(Nc3ccc(N4CCNCC4)nc3)nc1C1(CCCCC1)O2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 4/20 0.47
CDK4 P11802 7/20 0.45
CDK6 Q00534 5/20 0.45
ACVR1 Q04771 2/20 0.42
CCND1 P24385 2/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
FLT3 P36888 1/20 0.41
MYLK4 Q86YV6 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
STK17A Q9UEE5 1/20 0.41
TBK1 Q9UHD2 1/20 0.41
PIK3CD O00329 1/20 0.38
CSF1R P07333 1/20 0.38
SYK P43405 1/20 0.37
FGFR2 P21802 2/20 0.36
FGFR3 P22607 2/20 0.36
FGFR1 P11362 1/20 0.36
CCNA2 P20248 1/20 0.36
FGFR4 P22455 1/20 0.36

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
SCHEMBL1115390 0.92 WEE1 (0.46) WEE1CDK4CDK6ACVR1CCND1
SCHEMBL1643147 0.90 CDK4 (0.51) WEE1CDK4CDK6CCND1CDK1
SCHEMBL2564026 0.83 CDK4 (0.53) CDK4CDK6CCND1CDK1CCNB1
SCHEMBL1115284 0.82 CDK4 (0.49) WEE1CDK4CDK6ACVR1CCND1
SCHEMBL1115162 0.80 WEE1 (0.46) WEE1CDK4CDK6ACVR1CCND1
SCHEMBL1115325 0.78 CDK4 (0.52) WEE1CDK4CDK6ACVR1CCND1
SCHEMBL1115407 0.77 CDK4 (0.47) WEE1CDK4CDK6CCND1CDK1
SCHEMBL1115389 0.76 CDK4 (0.45) WEE1CDK4CDK6ACVR1CCND1
SCHEMBL1115197 0.76 CDK4 (0.45) WEE1CDK4CDK6ACVR1CCND1
SCHEMBL1115134 0.76 CDK4 (0.45) WEE1CDK4CDK6ACVR1CCND1

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 8 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-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
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 66/4885CDK4 1/4885CDK6 3/4885

“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.