SCHEMBL1979361

SCHEMBL1979361

O=C(O)N1CCN(S(=O)(=O)c2ccc(Cl)nc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.67
▸ ALDH1A1 P00352 4/20 0.63
▸ CYP2D6 P10635 1/20 0.63
▸ CHRM1 P11229 1/20 0.56
▸ PKM P14618 2/20 0.50
▸ CNR1 P21554 1/20 0.50
▸ LMNA P02545 4/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ L3MBTL1 Q9Y468 3/20 0.47
▸ GAA P10253 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ NAMPT P43490 1/20 0.46
▸ SPR P35270 1/20 0.46

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
SCHEMBL18711635 0.87 ALDH1A1 (0.65) POLBALDH1A1CYP2D6CHRM1CNR1
SCHEMBL18701970 0.84 ALDH1A1 (0.61) POLBALDH1A1CYP2D6CHRM1CNR1
SCHEMBL23089669 0.82 POLB (0.90) POLBALDH1A1CYP2D6CHRM1PKM
SCHEMBL2977562 0.82 POLB (0.97) POLBALDH1A1CYP2D6PKMLMNA
SCHEMBL3194967 0.81 TGM2 (0.64) POLBALDH1A1CYP2D6CHRM1
SCHEMBL3203109 0.81 POLB (0.72) POLBALDH1A1CYP2D6PKMLMNA
SCHEMBL27162594 0.81 POLB (0.56) POLBALDH1A1CYP2D6CHRM1LMNA
SCHEMBL5915285 0.80 LMNA (0.70) POLBALDH1A1PKMCNR1LMNA
SCHEMBL14134639 0.80 POLB (1.00) POLBALDH1A1CYP2D6PKMLMNA
SCHEMBL15201008 0.80 POLB (0.56) POLBALDH1A1CYP2D6CHRM1PKM

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
EP-2231656-A1 FUSED PYRIDINE, PYRIMIDINE AND TRIAZINE COMPOUNDS AS CELL CYCLE INHIBITORS Amgen Inc. (US) 2010-09-29 — — EP claimed
WO-2009085185-A1 FUSED PYRIDINE, PYRIMIDINE AND TRIAZINE COMPOUNDS AS CELL CYCLE INHIBITORS AMGEN INC. (US) 2009-07-09 — — WO claimed
EP-1667990-A2 NEW COMPOUNDS AstraZeneca AB (SE) 2006-06-14 — — EP claimed
WO-2005027823-A2 3-HETEROCYCLYL-INDOLE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3 (GSK-3) ASTRAZENECA AB (SE) 2005-03-31 — — WO claimed
US-8980903-B2 Fused pyridine, pyrimidine and triazine compounds as cell cycle inhibitors AMGEN INC. (US) 2015-03-17 — — US disclosed
US-20140350244-A1 FUSED PYRIDINE, PYRIMIDINE AND TRIAZINE COMPOUNDS AS CELL CYCLE INHIBITORS AMGEN INC (US) 2014-11-27 — — US disclosed
US-8841312-B2 Fused pyridine, pyrimidine and triazine compounds as cell cycle inhibitors AMGEN INC. (US) 2014-09-23 — — US disclosed
US-20110142796-A1 Fused Pyridine, Pyrimidine and Triazine Compounds as Cell Cycle Inhibitors AMGEN INC (US) 2011-06-16 — — US disclosed
EP-2231656-A1 FUSED PYRIDINE, PYRIMIDINE AND TRIAZINE COMPOUNDS AS CELL CYCLE INHIBITORS Amgen Inc. (US) 2010-09-29 — — EP disclosed
US-7683067-B2 3-heterocyclyl-indole derivatives as inhibitors of glycogen synthase kinase-3 (GSK-3) ASTRAZENECA AB (SE) 2010-03-23 — — US disclosed
WO-2009085185-A1 FUSED PYRIDINE, PYRIMIDINE AND TRIAZINE COMPOUNDS AS CELL CYCLE INHIBITORS AMGEN INC. (US) 2009-07-09 — — WO disclosed
US-20080275041-A1 3-Heterocyclyl-Indole Derivatives as Inhibitors of Glycogen Synthase Kinase-3 (Gsk-3) ASTRAZENECA AB (SE) 2008-11-06 — — US disclosed
EP-1667990-A2 NEW COMPOUNDS AstraZeneca AB (SE) 2006-06-14 — — EP disclosed
WO-2005027823-A2 3-HETEROCYCLYL-INDOLE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3 (GSK-3) ASTRAZENECA AB (SE) 2005-03-31 — — 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 (3 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-20140350244-A1 FUSED PYRIDINE, PYRIMIDINE AND TRIAZINE COMPOUNDS AS CELL CYCLE INHIBITORS CDK4, CDKL4, CDK2 POLB 603/4885ALDH1A1 1917/4885CYP2D6 1391/4885
US-20080275041-A1 3-Heterocyclyl-Indole Derivatives as Inhibitors of Glycogen Synthase Kinase-3 (Gsk-3) GSK3B, GSK3A, GSKIP POLB 1893/4885ALDH1A1 2460/4885CYP2D6 1098/4885
US-20110142796-A1 Fused Pyridine, Pyrimidine and Triazine Compounds as Cell Cycle Inhibitors CDK4, CDKL4, CDK2 POLB 603/4885ALDH1A1 1917/4885CYP2D6 1391/4885

“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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