SCHEMBL1115314

SCHEMBL1115314

O=C(O)N1CCN(c2ccc(Nc3ncc4c(n3)C3(CCOCC3)Oc3cccnc3-4)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 3/20 0.41
▸ PKMYT1 Q99640 1/20 0.41
▸ FLT3 P36888 3/20 0.40
▸ CDK1 P06493 2/20 0.40
▸ CDK2 P24941 2/20 0.40
▸ CDK4 P11802 1/20 0.40
▸ CCND1 P24385 1/20 0.40
▸ CCNB1 P14635 1/20 0.40
▸ CCNE1 P24864 1/20 0.40
▸ WEE1 P30291 1/20 0.40
▸ MAPK8 P45983 2/20 0.40
▸ MAPK9 P45984 1/20 0.40
▸ MAPK10 P53779 1/20 0.40
▸ SLC2A1 P11166 1/20 0.39
▸ SYK P43405 2/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ AURKA O14965 1/20 0.39
▸ IGF1R P08069 1/20 0.39
▸ STAT6 P42226 2/20 0.39

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
SCHEMBL12162407 0.89 CCND3 (0.52) ALKPKMYT1CDK1CDK2CDK4
SCHEMBL1115161 0.86 CDK4 (0.47) CDK1CDK2CDK4CCND1CCNB1
SCHEMBL2568295 0.86 PKMYT1 (0.35) ALKPKMYT1FLT3CDK1CDK2
SCHEMBL1115321 0.82 ALK (0.42) ALKCDK1CDK2CDK4CCND1
SCHEMBL1115132 0.81 STAT6 (0.44) ALKFLT3CDK4CCND1WEE1
SCHEMBL1115440 0.75 CDK4 (0.48) CDK2CDK4CCND1CCNE1WEE1
SCHEMBL1115284 0.74 CDK4 (0.49) CDK2CDK4CCND1CCNE1WEE1
SCHEMBL1115182 0.73 CDK4 (0.48) ALKCDK1CDK2CDK4CCND1
SCHEMBL1643117 0.71 CCND3 (0.56) ALKCDK1CDK2CDK4CCND1
SCHEMBL2569620 0.71 ALK (0.45) ALKCDK2CDK4CCND1SYK

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 4 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 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

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 ALK 2638/4885PKMYT1 1011/4885FLT3 839/4885

“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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