SCHEMBL1115176

SCHEMBL1115176

CN1CCN(c2ccc(Nc3ncc4c(n3)C3(C=CC(C)(C)CC3)c3cnccc3-4)cn2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 4/20 0.40
▸ JAK2 O60674 3/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ CTSC P53634 1/20 0.40
▸ WEE1 P30291 1/20 0.40
▸ ZAP70 P43403 1/20 0.39
▸ CDK4 P11802 6/20 0.38
▸ FGFR1 P11362 1/20 0.37
▸ CLK2 P49760 1/20 0.36
▸ CLK3 P49761 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ MAP3K7 O43318 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ IGF1R P08069 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ DYRK1B Q9Y463 1/20 0.35
▸ SYK P43405 1/20 0.35

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
SCHEMBL12162446 1.00 JAK3 (0.40) JAK3JAK2CYP3A4JAK1CTSC
SCHEMBL12727726 0.92 CDK4 (0.39) JAK3JAK2CYP3A4JAK1CTSC
SCHEMBL12727723 0.88 CDK4 (0.53) CDK4CDK2CDK1CCNB1CCND1
SCHEMBL1115163 0.88 CDK4 (0.53) CDK4CDK2CDK1CCNB1CCND1
SCHEMBL14732090 0.86 CDK4 (0.39) ZAP70CDK4CDK2CDK1CCNB1
SCHEMBL1115502 0.80 CDK2 (0.45) JAK3JAK2WEE1CDK4FGFR1
SCHEMBL12727722 0.80 CDK2 (0.45) JAK3JAK2WEE1CDK4FGFR1
SCHEMBL15875549 0.79 CDK4 (0.47) CDK4CDK2CDK1CCNB1CCND1
SCHEMBL2565742 0.77 CDK4 (0.42) CYP3A4CDK4CDK1CCNB1CCND1
SCHEMBL1115195 0.76 CDK4 (0.52) CDK4CDK2CDK1CCNB1CCND1

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 10 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
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
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 JAK3 474/4885JAK2 333/4885CYP3A4 3267/4885

“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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