SCHEMBL1115325

SCHEMBL1115325

c1cc2c(cn1)C1(CCCCC1)c1nc(Nc3ccc(N4CCNCC4)nc3)ncc1-2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 13/20 0.52
▸ CDK6 Q00534 10/20 0.52
▸ CDK1 P06493 2/20 0.46
▸ CCNB1 P14635 2/20 0.46
▸ CCND1 P24385 2/20 0.46
▸ FLT3 P36888 2/20 0.46
▸ WEE1 P30291 1/20 0.44
▸ MYLK4 Q86YV6 1/20 0.43
▸ CLK4 Q9HAZ1 1/20 0.43
▸ STK17A Q9UEE5 1/20 0.43
▸ TBK1 Q9UHD2 1/20 0.43
▸ ACVR1 Q04771 2/20 0.42
▸ ZAP70 P43403 2/20 0.38
▸ PRKD3 O94806 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ PRKCG P05129 1/20 0.38
▸ PRKCB P05771 1/20 0.38
▸ LCK P06239 1/20 0.38
▸ PRKCA P17252 1/20 0.38
▸ PRKCH P24723 1/20 0.38

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
SCHEMBL12727736 0.83 CDK4 (0.51) CDK4CDK6CDK1CCNB1CCND1
SCHEMBL1115451 0.83 CDK4 (0.55) CDK4CDK6CDK1CCNB1CCND1
SCHEMBL1115270 0.83 CDK4 (0.55) CDK4CDK6CDK1CCNB1CCND1
SCHEMBL1115178 0.82 CDK4 (0.54) CDK4CDK6CDK1CCNB1CCND1
SCHEMBL12727743 0.81 CDK4 (0.49) CDK4CDK6CDK1CCNB1CCND1
SCHEMBL1115244 0.78 CDK4 (0.49) CDK4CDK6CDK1CCNB1CCND1
SCHEMBL2560191 0.78 WEE1 (0.47) CDK4CDK6CDK1CCNB1CCND1
SCHEMBL12727738 0.77 LRRK2 (0.52) CDK4CDK6CDK1CCNB1CCND1
SCHEMBL12727726 0.77 CDK4 (0.39) CDK4CDK6CDK1CCNB1CCND1
SCHEMBL1115396 0.75 CDK4 (0.53) CDK4CDK6CDK1CCNB1CCND1

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
US-8389533-B2 Gem-disubstituted and spirocyclic amino pyridines/pyrimidines as cell cycle inhibitors AMGEN INC. (US) 2013-03-05 — — US claimed
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 CDK4 1/4885CDK6 3/4885CDK1 22/4885

“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.

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