SCHEMBL1115284

SCHEMBL1115284

c1cnc2c(c1)-c1cnc(Nc3ccc(N4CCNCC4)cc3)nc1C1(CCOCC1)O2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 8/20 0.49
▸ CDK6 Q00534 5/20 0.49
▸ WEE1 P30291 7/20 0.46
▸ CCNA2 P20248 3/20 0.44
▸ CCND1 P24385 3/20 0.44
▸ CDK2 P24941 3/20 0.44
▸ LRRK2 Q5S007 1/20 0.44
▸ FGFR1 P11362 2/20 0.43
▸ FGFR2 P21802 2/20 0.43
▸ FGFR4 P22455 2/20 0.43
▸ FGFR3 P22607 2/20 0.43
▸ CCNE2 O96020 1/20 0.43
▸ CCNE1 P24864 1/20 0.43
▸ CCND2 P30279 1/20 0.43
▸ CCND3 P30281 1/20 0.43
▸ CCNA1 P78396 1/20 0.43
▸ ACVR1 Q04771 2/20 0.42
▸ STAT6 P42226 1/20 0.42
▸ MYLK4 Q86YV6 1/20 0.42
▸ STK17A Q9UEE5 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
SCHEMBL1643147 0.93 CDK4 (0.51) CDK4CDK6WEE1CCNA2CCND1
SCHEMBL1115465 0.91 CDK4 (0.51) CDK4CDK6CCNA2CCND1CDK2
SCHEMBL1115197 0.89 CDK4 (0.45) CDK4CDK6WEE1CCNA2CCND1
SCHEMBL1115134 0.89 CDK4 (0.45) CDK4CDK6WEE1CCNA2CCND1
SCHEMBL1115389 0.89 CDK4 (0.45) CDK4CDK6WEE1CCNA2CCND1
SCHEMBL1115440 0.87 CDK4 (0.48) CDK4CDK6WEE1CCNA2CCND1
SCHEMBL1115161 0.87 CDK4 (0.47) CDK4CDK6WEE1CCND1CDK2
SCHEMBL1115541 0.84 WEE1 (0.52) CDK4CDK6WEE1LRRK2ACVR1
SCHEMBL2564026 0.83 CDK4 (0.53) CDK4CDK6CCNA2CCND1CDK2
SCHEMBL2560191 0.82 WEE1 (0.47) CDK4CDK6WEE1CCNA2CCND1

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 11 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
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
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

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 3/4885WEE1 66/4885

“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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