SCHEMBL1646635

SCHEMBL1646635

FC(F)(F)c1ccc(N2CC[CH]CC2)nc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.57
▸ LMNA P02545 2/20 0.57
▸ ABL1 P00519 1/20 0.57
▸ MAPT P10636 6/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ GAA P10253 1/20 0.55
▸ HPGD P15428 1/20 0.53
▸ CYP3A4 P08684 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ HTT P42858 2/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ DRD4 P21917 1/20 0.49
▸ GRM2 Q14416 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ GPR119 Q8TDV5 1/20 0.49

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
SCHEMBL6437866 0.90 KDM4E (0.51) KDM4ELMNAABL1MAPTSMN1; SMN2
SCHEMBL23207522 0.86 KDM4E (0.62) KDM4ELMNAABL1MAPTSMN1; SMN2
SCHEMBL30582921 0.84 KDM4E (0.60) KDM4ELMNAABL1MAPTSMN1; SMN2
SCHEMBL16238574 0.84 KDM4E (0.60) KDM4ELMNAABL1MAPTSMN1; SMN2
SCHEMBL886818 0.83 KDM4E (0.57) KDM4ELMNAABL1MAPTSMN1; SMN2
SCHEMBL30776193 0.82 MAPT (0.51) KDM4ELMNAABL1MAPTSMN1; SMN2
SCHEMBL30101389 0.81 ADRB1 (0.60) KDM4ELMNAABL1MAPTSMN1; SMN2
SCHEMBL29959269 0.81 MAPT (0.62) KDM4ELMNAABL1MAPTSMN1; SMN2
SCHEMBL17035908 0.81 ADRB1 (0.60) KDM4ELMNAABL1MAPTSMN1; SMN2
SCHEMBL231823 0.81 ADRB1 (0.60) KDM4ELMNAABL1MAPTSMN1; SMN2

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1648426-B1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2014-01-08 — — EP claimed
JP-4833059-B2 — — 2011-12-07 — — JP claimed
US-7977477-B2 Benzimidazole derivatives and their use as protein kinase inhibitors ASTEX THERAPEUTICS, LIMITED (GB) 2011-07-12 — — US claimed
US-7960380-B2 Non-anilinic derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2011-06-14 — — US claimed
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators ASTRAZENECA AB (SE) 2010-09-09 — — US claimed
US-7723333-B2 Non-anilinic derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2010-05-25 — — US claimed
US-20090005353-A1 Non-Anilinic Derivatives of Isothiazol-3(2H)-one 1,1-Dioxides as Liver X Receptor Modulators ASTRAZENECA AB (SE) 2009-01-01 — — US claimed
US-20080312223-A1 Thiazole And Isothiazole Derivatives That Modulate The Activity Of CDK, GSK And Aurora Kinases ASTEX THERAPEUTICS LIMITED (GB) 2008-12-18 — — US claimed
CN-101137628-A Non-anilinic derivatives of isothiazol-3(2h)-one 1,1-dioxides as liver x receptor modulators ASTRAZENECA AB (SE) 2008-03-05 — — CN claimed
EP-1838687-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2007-10-03 — — EP claimed
EP-1836199-A1 THIAZOLE AND ISOTHIAZOLE DERIVATIVES THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES Astex Therapeutics Limited (GB) 2007-09-26 — — EP claimed
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUCTICS, LIMITED (US) 2007-06-14 — — US claimed
WO-2006073366-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2006-07-13 — — WO claimed
WO-2006070192-A1 THIAZOLE AND ISOTHIAZOLE DERIVATIVES THAT MODULATE THE ACIVITY OF CDK, GSK AND AURORA KYNASES ASTEX THERAPEUTICS LIMITED (GB) 2006-07-06 — — WO claimed
EP-1648426-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS Astex Therapeutics Limited (GB) 2006-04-26 — — EP claimed
WO-2005002552-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 — — WO claimed
EP-2305250-B1 Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUTICS LTD (GB) 2014-03-26 — — EP disclosed
US-20140010892-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2014-01-09 — — US disclosed
EP-1648426-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS Astex Therapeutics Limited (GB) 2006-04-26 — — EP disclosed
WO-2005002552-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 — — 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 (5 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-20090005353-A1 Non-Anilinic Derivatives of Isothiazol-3(2H)-one 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 KDM4E 4359/4885LMNA 3236/4885ABL1 4584/4885
US-20140010892-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS CDK1, CCNI, CDK2 KDM4E 942/4885LMNA 743/4885ABL1 171/4885
US-20080312223-A1 Thiazole And Isothiazole Derivatives That Modulate The Activity Of CDK, GSK And Aurora Kinases CDK1, CDK8, CDK2 KDM4E 737/4885LMNA 1870/4885ABL1 178/4885
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors CDK1, AURKA, CDK2 KDM4E 828/4885LMNA 691/4885ABL1 738/4885
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 KDM4E 4359/4885LMNA 3236/4885ABL1 4584/4885

“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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