SCHEMBL1115321

SCHEMBL1115321

O=C(O)N1CCN(c2ccc(Nc3ncc4c(n3)C3(CCCCC3)Oc3ccccc3-4)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 1/20 0.42
▸ AXL P30530 7/20 0.42
▸ CDK4 P11802 3/20 0.42
▸ CCND1 P24385 3/20 0.42
▸ STAT6 P42226 2/20 0.41
▸ SYK P43405 5/20 0.41
▸ CDK2 P24941 2/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ CCNK O75909 1/20 0.40
▸ CCNA2 P20248 1/20 0.40
▸ CCND3 P30281 1/20 0.40
▸ CDK9 P50750 1/20 0.40
▸ CDK6 Q00534 1/20 0.40
▸ WEE1 P30291 1/20 0.40

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
SCHEMBL1643117 0.88 CCND3 (0.56) ALKAXLCDK4CCND1SYK
SCHEMBL1115334 0.88 ALK (0.50) ALKCDK4CCND1CDK2CDK1
SCHEMBL1644121 0.87 CDK4 (0.37) ALKAXLCDK4CCND1STAT6
SCHEMBL1115407 0.86 CDK4 (0.47) CDK4CCND1STAT6CDK2CDK1
SCHEMBL1643626 0.85 WEE1 (0.47) CDK4CCND1STAT6CDK2CDK1
SCHEMBL2569620 0.84 ALK (0.45) ALKAXLCDK4CCND1STAT6
SCHEMBL1643760 0.83 WEE1 (0.47) CDK4CCND1STAT6CDK2CDK1
SCHEMBL1115182 0.83 CDK4 (0.48) ALKAXLCDK4CCND1STAT6
SCHEMBL1115314 0.82 ALK (0.41) ALKCDK4CCND1STAT6SYK
SCHEMBL1115132 0.80 STAT6 (0.44) ALKCDK4CCND1STAT6SYK

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 5 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
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
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 2638/4885AXL 478/4885CDK4 1/4885

“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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